info:bmrb.metabolomics/bmse001107
type: datablock
datablock name: bmse001107
has ambiguous atom chem shift category: ambiguous atom chem shiftCategory
has assembly category: assemblyCategory
has assigned chem shift list category: assigned chem shift listCategory
has assigned spectral transition category: assigned spectral transitionCategory
has atom category: atomCategory
has atom chem shift category: atom chem shiftCategory
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has chem comp citation category: chem comp citationCategory
has chem comp common name category: chem comp common nameCategory
has chem comp db link category: chem comp db linkCategory
has chem comp descriptor category: chem comp descriptorCategory
has chem comp identifier category: chem comp identifierCategory
has chem shift experiment category: chem shift experimentCategory
has chem shift ref category: chem shift refCategory
has chem shift reference category: chem shift referenceCategory
has chem shift software category: chem shift softwareCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has data set category: data setCategory
has datum category: datumCategory
has entity category: entityCategory
has entity assembly category: entity assemblyCategory
has entity comp index category: entity comp indexCategory
has entity experimental src category: entity experimental srcCategory
has entity experimental src list category: entity experimental src listCategory
has entity natural src category: entity natural srcCategory
has entity natural src list category: entity natural src listCategory
has entry category: entryCategory
has entry author category: entry authorCategory
has entry src category: entry srcCategory
has experiment category: experimentCategory
has experiment file category: experiment fileCategory
has experiment list category: experiment listCategory
has nmr spectrometer category: nmr spectrometerCategory
has release category: releaseCategory
has sample category: sampleCategory
has sample component category: sample componentCategory
has sample condition list category: sample condition listCategory
has sample condition variable category: sample condition variableCategory
has software category: softwareCategory
has software citation category: software citationCategory
has spectral dim category: spectral dimCategory
has spectral transition category: spectral transitionCategory
has spectral transition char category: spectral transition charCategory
has spectral transition general char category: spectral transition general charCategory
has task category: taskCategory
has vendor category: vendorCategory

1,1,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 1
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1,2,bmse001107
type: ambiguous atom chem shift
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1,3,bmse001107
type: ambiguous atom chem shift
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1,4,bmse001107
type: ambiguous atom chem shift
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1,5,bmse001107
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1,6,bmse001107
type: ambiguous atom chem shift
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1,9,bmse001107
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1,10,bmse001107
type: ambiguous atom chem shift
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1,11,bmse001107
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1,12,bmse001107
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1,13,bmse001107
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1,15,bmse001107
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1,16,bmse001107
type: ambiguous atom chem shift
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1,17,bmse001107
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1,18,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.atom chem shift id: 18
ambiguous atom chem shift.entry id: bmse001107
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1,19,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.entry id: bmse001107
ambiguous atom chem shift.ambiguous shift set id: 2

1,23,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.atom chem shift id: 23
ambiguous atom chem shift.entry id: bmse001107
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1,24,bmse001107
type: ambiguous atom chem shift
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1,28,bmse001107
type: ambiguous atom chem shift
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1,29,bmse001107
type: ambiguous atom chem shift
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1,30,bmse001107
type: ambiguous atom chem shift
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1,31,bmse001107
type: ambiguous atom chem shift
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1,37,bmse001107
type: ambiguous atom chem shift
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1,44,bmse001107
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1,45,bmse001107
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1,46,bmse001107
type: ambiguous atom chem shift
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1,47,bmse001107
type: ambiguous atom chem shift
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1,48,bmse001107
type: ambiguous atom chem shift
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1,49,bmse001107
type: ambiguous atom chem shift
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1,53,bmse001107
type: ambiguous atom chem shift
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1,54,bmse001107
type: ambiguous atom chem shift
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1,55,bmse001107
type: ambiguous atom chem shift
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1,56,bmse001107
type: ambiguous atom chem shift
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1,57,bmse001107
type: ambiguous atom chem shift
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1,58,bmse001107
type: ambiguous atom chem shift
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1,59,bmse001107
type: ambiguous atom chem shift
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1,60,bmse001107
type: ambiguous atom chem shift
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1,61,bmse001107
type: ambiguous atom chem shift
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1,62,bmse001107
type: ambiguous atom chem shift
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1,65,bmse001107
type: ambiguous atom chem shift
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1,66,bmse001107
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1,67,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.entry id: bmse001107
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1,68,bmse001107
type: ambiguous atom chem shift
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1,69,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.entry id: bmse001107
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1,70,bmse001107
type: ambiguous atom chem shift
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1,71,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.atom chem shift id: 71
ambiguous atom chem shift.entry id: bmse001107
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1,72,bmse001107
type: ambiguous atom chem shift
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1,73,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.entry id: bmse001107
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1,74,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.atom chem shift id: 74
ambiguous atom chem shift.entry id: bmse001107
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1,87,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.atom chem shift id: 87
ambiguous atom chem shift.entry id: bmse001107
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1,88,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.atom chem shift id: 88
ambiguous atom chem shift.entry id: bmse001107
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1,89,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.entry id: bmse001107
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1,90,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.entry id: bmse001107
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1,91,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.entry id: bmse001107
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1,92,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.entry id: bmse001107
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1,93,bmse001107
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ambiguous atom chem shift.entry id: bmse001107
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1,94,bmse001107
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ambiguous atom chem shift.atom chem shift id: 94
ambiguous atom chem shift.entry id: bmse001107
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1,95,bmse001107
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ambiguous atom chem shift.atom chem shift id: 95
ambiguous atom chem shift.entry id: bmse001107
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1,96,bmse001107
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ambiguous atom chem shift.atom chem shift id: 96
ambiguous atom chem shift.entry id: bmse001107
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1,97,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.atom chem shift id: 97
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1,104,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.atom chem shift id: 104
ambiguous atom chem shift.entry id: bmse001107
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1,105,bmse001107
type: ambiguous atom chem shift
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ambiguous atom chem shift.atom chem shift id: 105
ambiguous atom chem shift.entry id: bmse001107
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bmse001107,1
type: assembly
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
assembly.entry id: bmse001107
assembly.id: 1
assembly.name: L-alpha-phosphatidylinositol
assembly.number of components: 1
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: assembly_1
assembly.thiol state: not present

bmse001107
referenced by assembly: bmse001107,1
referenced by assigned chem shift list: bmse001107,1
referenced by chem comp: bmse001107,BMET001107
referenced by chem comp atom: P57,BMET001107,bmse001107
referenced by chem comp atom: O56,BMET001107,bmse001107
referenced by chem comp atom: O49,BMET001107,bmse001107
referenced by chem comp atom: O50,BMET001107,bmse001107
referenced by chem comp atom: O47,BMET001107,bmse001107
referenced by chem comp atom: O48,BMET001107,bmse001107
referenced by chem comp atom: O46,BMET001107,bmse001107
referenced by chem comp atom: O54,BMET001107,bmse001107
referenced by chem comp atom: O51,BMET001107,bmse001107
referenced by chem comp atom: O52,BMET001107,bmse001107
referenced by chem comp atom: O55,BMET001107,bmse001107
referenced by chem comp atom: O53,BMET001107,bmse001107
referenced by chem comp atom: O45,BMET001107,bmse001107
referenced by chem comp atom: O44,BMET001107,bmse001107
referenced by chem comp atom: C43,BMET001107,bmse001107
referenced by chem comp atom: C41,BMET001107,bmse001107
referenced by chem comp atom: C42,BMET001107,bmse001107
referenced by chem comp atom: C39,BMET001107,bmse001107
referenced by chem comp atom: C40,BMET001107,bmse001107
referenced by chem comp atom: C38,BMET001107,bmse001107
referenced by chem comp atom: C34,BMET001107,bmse001107
referenced by chem comp atom: C35,BMET001107,bmse001107
referenced by chem comp atom: C19,BMET001107,bmse001107
referenced by chem comp atom: C16,BMET001107,bmse001107
referenced by chem comp atom: C21,BMET001107,bmse001107
referenced by chem comp atom: C14,BMET001107,bmse001107
referenced by chem comp atom: C23,BMET001107,bmse001107
referenced by chem comp atom: C33,BMET001107,bmse001107
referenced by chem comp atom: C12,BMET001107,bmse001107
referenced by chem comp atom: C25,BMET001107,bmse001107
referenced by chem comp atom: C10,BMET001107,bmse001107
referenced by chem comp atom: C27,BMET001107,bmse001107
referenced by chem comp atom: C8,BMET001107,bmse001107
referenced by chem comp atom: C29,BMET001107,bmse001107
referenced by chem comp atom: C6,BMET001107,bmse001107
referenced by chem comp atom: C31,BMET001107,bmse001107
referenced by chem comp atom: C37,BMET001107,bmse001107
referenced by chem comp atom: C36,BMET001107,bmse001107
referenced by chem comp atom: C32,BMET001107,bmse001107
referenced by chem comp atom: C4,BMET001107,bmse001107
referenced by chem comp atom: C30,BMET001107,bmse001107
referenced by chem comp atom: C28,BMET001107,bmse001107
referenced by chem comp atom: C26,BMET001107,bmse001107
referenced by chem comp atom: C24,BMET001107,bmse001107
referenced by chem comp atom: C22,BMET001107,bmse001107
referenced by chem comp atom: C2,BMET001107,bmse001107
referenced by chem comp atom: C20,BMET001107,bmse001107
referenced by chem comp atom: C18,BMET001107,bmse001107
referenced by chem comp atom: C17,BMET001107,bmse001107
referenced by chem comp atom: C15,BMET001107,bmse001107
referenced by chem comp atom: C7,BMET001107,bmse001107
referenced by chem comp atom: C9,BMET001107,bmse001107
referenced by chem comp atom: C5,BMET001107,bmse001107
referenced by chem comp atom: C13,BMET001107,bmse001107
referenced by chem comp atom: C11,BMET001107,bmse001107
referenced by chem comp atom: C3,BMET001107,bmse001107
referenced by chem comp atom: C1,BMET001107,bmse001107
referenced by chem comp atom: H134,BMET001107,bmse001107
referenced by chem comp atom: H135,BMET001107,bmse001107
referenced by chem comp atom: H132,BMET001107,bmse001107
referenced by chem comp atom: H133,BMET001107,bmse001107
referenced by chem comp atom: H131,BMET001107,bmse001107
referenced by chem comp atom: H130,BMET001107,bmse001107
referenced by chem comp atom: H128,BMET001107,bmse001107
referenced by chem comp atom: H129,BMET001107,bmse001107
referenced by chem comp atom: H126,BMET001107,bmse001107
referenced by chem comp atom: H127,BMET001107,bmse001107
referenced by chem comp atom: H125,BMET001107,bmse001107
referenced by chem comp atom: H122,BMET001107,bmse001107
referenced by chem comp atom: H123,BMET001107,bmse001107
referenced by chem comp atom: H124,BMET001107,bmse001107
referenced by chem comp atom: H92,BMET001107,bmse001107
referenced by chem comp atom: H93,BMET001107,bmse001107
referenced by chem comp atom: H88,BMET001107,bmse001107
referenced by chem comp atom: H89,BMET001107,bmse001107
referenced by chem comp atom: H96,BMET001107,bmse001107
referenced by chem comp atom: H97,BMET001107,bmse001107

bmse001107,1
type: assigned chem shift list
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
assigned chem shift list.entry id: bmse001107
assigned chem shift list.id: 1
assigned chem shift list.chem shift reference id: 1
assigned chem shift list.chem shift reference label: chem_shift_ref_set01
assigned chem shift list.sample condition list id: 1
assigned chem shift list.sample condition list label: sample_conditions_1
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: chem_shift_set01

bmse001107,1,3,1
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 1
assigned spectral transition.assembly atom id: 37
assigned spectral transition.assigned chem shift list id: 1
assigned spectral transition.atom chem shift id: 23
assigned spectral transition.atom id: C37
assigned spectral transition.comp id: BMET001107
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assigned spectral transition.entity assembly id: 1
assigned spectral transition.entity id: 1
assigned spectral transition.peak id: 0
assigned spectral transition.val: 174.3369

bmse001107,1,3,2
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 2
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assigned spectral transition.atom chem shift id: 24
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assigned spectral transition.entity assembly id: 1
assigned spectral transition.entity id: 1
assigned spectral transition.peak id: 0
assigned spectral transition.val: 173.9837

bmse001107,1,3,3
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 3
assigned spectral transition.assembly atom id: 55
assigned spectral transition.assigned chem shift list id: 1
assigned spectral transition.atom chem shift id: 41
assigned spectral transition.atom id: C11
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assigned spectral transition.entity assembly id: 1
assigned spectral transition.entity id: 1
assigned spectral transition.peak id: 0
assigned spectral transition.val: 130.4366

bmse001107,1,3,4
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
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assigned spectral transition.entity assembly id: 1
assigned spectral transition.entity id: 1
assigned spectral transition.peak id: 0
assigned spectral transition.val: 130.1551

bmse001107,1,3,5
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 5
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assigned spectral transition.entity assembly id: 1
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assigned spectral transition.peak id: 0
assigned spectral transition.val: 128.3337

bmse001107,1,3,6
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 6
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assigned spectral transition.atom id: C13
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assigned spectral transition.entity assembly id: 1
assigned spectral transition.entity id: 1
assigned spectral transition.peak id: 0
assigned spectral transition.val: 128.1173

bmse001107,1,3,12
type: assigned spectral transition
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assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 12
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assigned spectral transition.entity assembly id: 1
assigned spectral transition.entity id: 1
assigned spectral transition.peak id: 0
assigned spectral transition.val: 70.7734

bmse001107,1,3,14
type: assigned spectral transition
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assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 14
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assigned spectral transition.entity assembly id: 1
assigned spectral transition.entity id: 1
assigned spectral transition.peak id: 0
assigned spectral transition.val: 64.0387

bmse001107,1,3,15
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 15
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assigned spectral transition.entity assembly id: 1
assigned spectral transition.entity id: 1
assigned spectral transition.peak id: 0
assigned spectral transition.val: 63.1029

bmse001107,1,3,16
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 16
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assigned spectral transition.val: 34.4786

bmse001107,1,3,17
type: assigned spectral transition
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assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
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assigned spectral transition.val: 34.3605

bmse001107,1,3,18
type: assigned spectral transition
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assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
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assigned spectral transition.entity assembly id: 1
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assigned spectral transition.val: 32.1966

bmse001107,1,3,30
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 30
assigned spectral transition.assembly atom id: 47
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assigned spectral transition.atom chem shift id: 33
assigned spectral transition.atom id: C20
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assigned spectral transition.entity assembly id: 1
assigned spectral transition.entity id: 1
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assigned spectral transition.val: 27.4714

bmse001107,1,3,31
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
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assigned spectral transition.peak id: 0
assigned spectral transition.val: 27.4303

bmse001107,1,3,34
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
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assigned spectral transition.assembly atom id: 41
assigned spectral transition.assigned chem shift list id: 1
assigned spectral transition.atom chem shift id: 27
assigned spectral transition.atom id: C30
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assigned spectral transition.val: 25.1922

bmse001107,1,3,35
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
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assigned spectral transition.entity assembly id: 1
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assigned spectral transition.val: 25.1363

bmse001107,1,3,36
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 36
assigned spectral transition.assembly atom id: 56
assigned spectral transition.assigned chem shift list id: 1
assigned spectral transition.atom chem shift id: 42
assigned spectral transition.atom id: C3
assigned spectral transition.comp id: BMET001107
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assigned spectral transition.entity assembly id: 1
assigned spectral transition.entity id: 1
assigned spectral transition.peak id: 0
assigned spectral transition.val: 22.9418

bmse001107,1,3,37
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 37
assigned spectral transition.assembly atom id: 40
assigned spectral transition.assigned chem shift list id: 1
assigned spectral transition.atom chem shift id: 26
assigned spectral transition.atom id: C4
assigned spectral transition.comp id: BMET001107
assigned spectral transition.comp index id: 1
assigned spectral transition.entity assembly id: 1
assigned spectral transition.entity id: 1
assigned spectral transition.peak id: 0
assigned spectral transition.val: 22.8269

bmse001107,1,3,38
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 38
assigned spectral transition.assembly atom id: 46
assigned spectral transition.assigned chem shift list id: 1
assigned spectral transition.atom chem shift id: 32
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assigned spectral transition.entity assembly id: 1
assigned spectral transition.entity id: 1
assigned spectral transition.peak id: 0
assigned spectral transition.val: 14.2407

bmse001107,1,3,39
type: assigned spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
assigned spectral transition.entry id: bmse001107
assigned spectral transition.spectral dim id: 1
assigned spectral transition.spectral peak list id: 3
assigned spectral transition.spectral transition id: 39
assigned spectral transition.assembly atom id: 57
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assigned spectral transition.entity assembly id: 1
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assigned spectral transition.val: 14.2061

1,1,bmse001107
type: atom
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atom.seq id: 1
atom.type symbol: P

2,1,bmse001107
type: atom
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atom.type symbol: O

3,1,bmse001107
type: atom
of datablock: info:bmrb.metabolomics/bmse001107
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4,1,bmse001107
type: atom
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5,1,bmse001107
type: atom
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6,1,bmse001107
type: atom
of datablock: info:bmrb.metabolomics/bmse001107
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7,1,bmse001107
type: atom
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8,1,bmse001107
type: atom
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9,1,bmse001107
type: atom
of datablock: info:bmrb.metabolomics/bmse001107
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10,1,bmse001107
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11,1,bmse001107
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12,1,bmse001107
type: atom
of datablock: info:bmrb.metabolomics/bmse001107
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13,1,bmse001107
type: atom
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14,1,bmse001107
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15,1,bmse001107
type: atom
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16,1,bmse001107
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17,1,bmse001107
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18,1,bmse001107
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19,1,bmse001107
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20,1,bmse001107
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21,1,bmse001107
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22,1,bmse001107
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25,1,bmse001107
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atom chem shift.seq id: 0
atom chem shift.val: 1.2635

1,bmse001107,92
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
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atom chem shift.ambiguity code: 4
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atom chem shift.seq id: 0
atom chem shift.val: 1.2635

1,bmse001107,93
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
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atom chem shift.atom id: H98
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atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.2635

1,bmse001107,94
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
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atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 113
atom chem shift.atom id: H99
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atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.2635

1,bmse001107,95
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
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atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 114
atom chem shift.atom id: H62
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atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.2635

1,bmse001107,96
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
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atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 115
atom chem shift.atom id: H61
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.2635

1,bmse001107,97
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
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atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 116
atom chem shift.atom id: H63
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atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.2635

1,bmse001107,98
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 117
atom chem shift.atom id: H94
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atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 2.0573

1,bmse001107,99
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 118
atom chem shift.atom id: H95
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atom chem shift.comp id: BMET001107
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atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 2.0573

1,bmse001107,100
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 119
atom chem shift.atom id: H91
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 5.3597

1,bmse001107,101
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 101
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 120
atom chem shift.atom id: H90
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 5.3283

1,bmse001107,102
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 102
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 121
atom chem shift.atom id: H86
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 2.7805

1,bmse001107,103
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 103
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 122
atom chem shift.atom id: H87
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 2.7805

1,bmse001107,104
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 104
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 123
atom chem shift.atom id: H72
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.2635

1,bmse001107,105
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 105
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 124
atom chem shift.atom id: H73
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.2635

1,bmse001107,106
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 106
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 125
atom chem shift.atom id: H76
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 2.0573

1,bmse001107,107
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 107
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 126
atom chem shift.atom id: H77
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 2.0573

1,bmse001107,108
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 108
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 127
atom chem shift.atom id: H68
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.2718

1,bmse001107,109
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 109
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 128
atom chem shift.atom id: H69
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.2718

1,bmse001107,110
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 110
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 129
atom chem shift.atom id: H83
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 5.3283

1,bmse001107,111
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 111
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 130
atom chem shift.atom id: H80
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 5.3597

1,bmse001107,112
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 112
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 131
atom chem shift.atom id: H64
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.3175

1,bmse001107,113
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 113
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 132
atom chem shift.atom id: H65
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.3175

1,bmse001107,114
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 114
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 133
atom chem shift.atom id: H59
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.8936

1,bmse001107,115
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 115
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 134
atom chem shift.atom id: H58
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.8936

1,bmse001107,116
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse001107
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse001107
atom chem shift.id: 116
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 135
atom chem shift.atom id: H60
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: BMET001107
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.8936

bmse001107,BMET001107
type: chem comp
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp.entry id: bmse001107
chem comp.id: BMET001107
chem comp.aromatic: no
chem comp.formal charge: 1-
chem comp.formula: C43H78O13P-
chem comp.formula mono iso wt 13c: 876.6623
chem comp.formula mono iso wt 13c 15n: 876.6623
chem comp.formula mono iso wt 15n: 833.5180
chem comp.formula mono iso wt nat: 833.5180
chem comp.formula weight: 834.0454
chem comp.image file format: png
chem comp.image file name: bmse001107.png
chem comp.inchi code: InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/p-1/b13-11-,18-17-/t35-,38-,39-,40+,41+,42+,43-/m0/s1
chem comp.initial date: 2016-02-15Z
chem comp.name: L-alpha-phosphatidylinositol
chem comp.number atoms all: 135
chem comp.number atoms nh: 57
chem comp.paramagnetic: no
chem comp.provenance: BMRB
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_1
chem comp.struct file format: mol
chem comp.struct file name: bmse001107.mol
chem comp.type: NON-POLYMER

P57,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: P57
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 5.135
chem comp atom.drawing 2d coord y: -4.155
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: P

O56,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O56
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 4.269
chem comp atom.drawing 2d coord y: -4.655
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O49,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O49
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 2.5369
chem comp atom.drawing 2d coord y: -5.655
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O50,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O50
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.001
chem comp atom.drawing 2d coord y: -5.655
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O47,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O47
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 2.5369
chem comp atom.drawing 2d coord y: -7.655
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O48,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O48
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.001
chem comp atom.drawing 2d coord y: -7.655
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O46,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O46
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 4.269
chem comp atom.drawing 2d coord y: -8.655
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O54,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O54
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.001
chem comp atom.drawing 2d coord y: -3.655
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O51,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O51
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: -1
chem comp atom.drawing 2d coord x: 4.635
chem comp atom.drawing 2d coord y: -3.289
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O52,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O52
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 5.635
chem comp atom.drawing 2d coord y: -5.021
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O55,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O55
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.8671
chem comp atom.drawing 2d coord y: -1.155
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O53,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O53
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 8.5991
chem comp atom.drawing 2d coord y: -2.155
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O45,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O45
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 8.5991
chem comp atom.drawing 2d coord y: -1.155
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O44,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: O44
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 9.4651
chem comp atom.drawing 2d coord y: -3.655
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C43,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C43
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 4.269
chem comp atom.drawing 2d coord y: -5.655
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C41,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C41
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 3.403
chem comp atom.drawing 2d coord y: -6.155
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C42,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C42
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 5.135
chem comp atom.drawing 2d coord y: -6.155
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C39,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C39
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 3.403
chem comp atom.drawing 2d coord y: -7.155
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C40,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C40
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 5.135
chem comp atom.drawing 2d coord y: -7.155
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C38,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C38
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 4.269
chem comp atom.drawing 2d coord y: -7.655
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C34,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C34
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.001
chem comp atom.drawing 2d coord y: -2.655
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C35,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C35
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.8671
chem comp atom.drawing 2d coord y: -2.155
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C19,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C19
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 15.5273
chem comp atom.drawing 2d coord y: -2.155
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C16,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C16
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 16.3933
chem comp atom.drawing 2d coord y: -2.655
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C21,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C21
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 14.6613
chem comp atom.drawing 2d coord y: -2.655
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C14,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C14
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 17.2594
chem comp atom.drawing 2d coord y: -2.155
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C23,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C23
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 13.7953
chem comp atom.drawing 2d coord y: -2.155
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C33,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C33
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 7.7331
chem comp atom.drawing 2d coord y: -2.655
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C12,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C12
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 18.1254
chem comp atom.drawing 2d coord y: -2.655
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C25,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C25
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 12.9292
chem comp atom.drawing 2d coord y: -2.655
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C10,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C10
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 18.9914
chem comp atom.drawing 2d coord y: -2.155
chem comp atom.pdbx ordinal: 31
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C27,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C27
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 12.0632
chem comp atom.drawing 2d coord y: -2.155
chem comp atom.pdbx ordinal: 32
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C8,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C8
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 19.8574
chem comp atom.drawing 2d coord y: -2.655
chem comp atom.pdbx ordinal: 33
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C29,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C29
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 11.1972
chem comp atom.drawing 2d coord y: -2.655
chem comp atom.pdbx ordinal: 34
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C6,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C6
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 20.7235
chem comp atom.drawing 2d coord y: -2.155
chem comp atom.pdbx ordinal: 35
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C31,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C31
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.3312
chem comp atom.drawing 2d coord y: -2.155
chem comp atom.pdbx ordinal: 36
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C37,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C37
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 7.7331
chem comp atom.drawing 2d coord y: -0.655
chem comp atom.pdbx ordinal: 37
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C36,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C36
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 9.4651
chem comp atom.drawing 2d coord y: -2.655
chem comp atom.pdbx ordinal: 38
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C32,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C32
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 7.7331
chem comp atom.drawing 2d coord y: 0.345
chem comp atom.pdbx ordinal: 39
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C4
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 21.5895
chem comp atom.drawing 2d coord y: -2.655
chem comp atom.pdbx ordinal: 40
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C30,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C30
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 8.5991
chem comp atom.drawing 2d coord y: 0.845
chem comp atom.pdbx ordinal: 41
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C28,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C28
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 8.5991
chem comp atom.drawing 2d coord y: 1.845
chem comp atom.pdbx ordinal: 42
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C26,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C26
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 9.4651
chem comp atom.drawing 2d coord y: 2.345
chem comp atom.pdbx ordinal: 43
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C24,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C24
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 9.4651
chem comp atom.drawing 2d coord y: 3.345
chem comp atom.pdbx ordinal: 44
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C22,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C22
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.3312
chem comp atom.drawing 2d coord y: 3.845
chem comp atom.pdbx ordinal: 45
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C2
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 22.4555
chem comp atom.drawing 2d coord y: -2.155
chem comp atom.pdbx ordinal: 46
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C20,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C20
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.3312
chem comp atom.drawing 2d coord y: 4.845
chem comp atom.pdbx ordinal: 47
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C18,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C18
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 11.1972
chem comp atom.drawing 2d coord y: 5.345
chem comp atom.pdbx ordinal: 48
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C17,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C17
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 11.1972
chem comp atom.drawing 2d coord y: 6.345
chem comp atom.pdbx ordinal: 49
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C15,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C15
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.3312
chem comp atom.drawing 2d coord y: 6.845
chem comp atom.pdbx ordinal: 50
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C7,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C7
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 7.7331
chem comp atom.drawing 2d coord y: 8.345
chem comp atom.pdbx ordinal: 51
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C9,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C9
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 8.5991
chem comp atom.drawing 2d coord y: 7.845
chem comp atom.pdbx ordinal: 52
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C5,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C5
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.8671
chem comp atom.drawing 2d coord y: 7.845
chem comp atom.pdbx ordinal: 53
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C13,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C13
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.3312
chem comp atom.drawing 2d coord y: 7.845
chem comp atom.pdbx ordinal: 54
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C11,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C11
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 9.4651
chem comp atom.drawing 2d coord y: 8.345
chem comp atom.pdbx ordinal: 55
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C3
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.001
chem comp atom.drawing 2d coord y: 8.345
chem comp atom.pdbx ordinal: 56
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C1,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: C1
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 5.135
chem comp atom.drawing 2d coord y: 7.845
chem comp atom.pdbx ordinal: 57
chem comp atom.stereo config: N
chem comp atom.type symbol: C

H134,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H134
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 4.8059
chem comp atom.drawing 2d coord y: -5.345
chem comp atom.pdbx ordinal: 58
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H135,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H135
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 3.403
chem comp atom.drawing 2d coord y: -5.535
chem comp atom.pdbx ordinal: 59
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H132,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H132
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 5.135
chem comp atom.drawing 2d coord y: -5.535
chem comp atom.pdbx ordinal: 60
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H133,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H133
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 3.403
chem comp atom.drawing 2d coord y: -7.775
chem comp atom.pdbx ordinal: 61
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H131,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H131
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 5.135
chem comp atom.drawing 2d coord y: -7.775
chem comp atom.pdbx ordinal: 62
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H130,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H130
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 4.8059
chem comp atom.drawing 2d coord y: -7.965
chem comp atom.pdbx ordinal: 63
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H128,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H128
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 2.0
chem comp atom.drawing 2d coord y: -5.965
chem comp atom.pdbx ordinal: 64
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H129,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H129
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.538
chem comp atom.drawing 2d coord y: -5.965
chem comp atom.pdbx ordinal: 65
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H126,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H126
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 2.5369
chem comp atom.drawing 2d coord y: -8.275
chem comp atom.pdbx ordinal: 66
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H127,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H127
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.001
chem comp atom.drawing 2d coord y: -8.275
chem comp atom.pdbx ordinal: 67
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H125,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H125
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 3.732
chem comp atom.drawing 2d coord y: -8.965
chem comp atom.pdbx ordinal: 68
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H122,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H122
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 5.789
chem comp atom.drawing 2d coord y: -2.0724
chem comp atom.pdbx ordinal: 69
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H123,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H123
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 5.3905
chem comp atom.drawing 2d coord y: -2.7627
chem comp atom.pdbx ordinal: 70
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H124,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H124
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.3301
chem comp atom.drawing 2d coord y: -1.845
chem comp atom.pdbx ordinal: 71
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H92,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H92
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 15.9258
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 72
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H93,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H93
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 15.1288
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 73
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H88,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H88
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 15.9948
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 74
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H89,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H89
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 16.7919
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 75
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H96,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H96
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 14.2628
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 76
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H97,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H97
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 15.0598
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 77
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H84,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H84
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 17.6579
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 78
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H85,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H85
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 16.8608
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 79
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H100,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H100
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 14.1938
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 80
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H101,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H101
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 13.3967
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 81
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H120,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H120
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 7.3346
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 82
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H121,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H121
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 8.1316
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 83
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H81,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H81
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 17.7269
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 84
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H82,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H82
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 18.5239
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 85
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H104,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H104
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 12.5307
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 86
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H105,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H105
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 13.3278
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 87
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H78,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H78
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 19.3899
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 88
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H79,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H79
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 18.5929
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 89
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H108,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H108
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 12.4617
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 90
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H109,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H109
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 11.6647
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 91
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H74,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H74
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 19.4589
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 92
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H75,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H75
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 20.256
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 93
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H112,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H112
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.7987
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 94
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H113,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H113
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 11.5957
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 95
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H70,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H70
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 21.122
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 96
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H71,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H71
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 20.3249
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 97
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H116,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H116
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.7297
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 98
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H117,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H117
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 9.9326
chem comp atom.drawing 2d coord y: -1.68
chem comp atom.pdbx ordinal: 99
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H118,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H118
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 7.521
chem comp atom.drawing 2d coord y: 0.9276
chem comp atom.pdbx ordinal: 100
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H119,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H119
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 7.1225
chem comp atom.drawing 2d coord y: 0.2373
chem comp atom.pdbx ordinal: 101
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H66,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H66
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 21.191
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 102
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H67,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H67
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 21.988
chem comp atom.drawing 2d coord y: -3.13
chem comp atom.pdbx ordinal: 103
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H114,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H114
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 8.8112
chem comp atom.drawing 2d coord y: 0.2624
chem comp atom.pdbx ordinal: 104
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H115,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H115
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 9.2097
chem comp atom.drawing 2d coord y: 0.9527
chem comp atom.pdbx ordinal: 105
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H110,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H110
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 8.3871
chem comp atom.drawing 2d coord y: 2.4276
chem comp atom.pdbx ordinal: 106
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H111,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H111
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 7.9885
chem comp atom.drawing 2d coord y: 1.7373
chem comp atom.pdbx ordinal: 107
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H106,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H106
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 9.6772
chem comp atom.drawing 2d coord y: 1.7624
chem comp atom.pdbx ordinal: 108
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H107,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H107
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.0757
chem comp atom.drawing 2d coord y: 2.4527
chem comp atom.pdbx ordinal: 109
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H102,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H102
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 9.2531
chem comp atom.drawing 2d coord y: 3.9276
chem comp atom.pdbx ordinal: 110
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H103,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H103
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 8.8546
chem comp atom.drawing 2d coord y: 3.2373
chem comp atom.pdbx ordinal: 111
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H98,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H98
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.5432
chem comp atom.drawing 2d coord y: 3.2624
chem comp atom.pdbx ordinal: 112
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H99,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H99
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.9417
chem comp atom.drawing 2d coord y: 3.9527
chem comp atom.pdbx ordinal: 113
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H62,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H62
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 22.7655
chem comp atom.drawing 2d coord y: -2.6919
chem comp atom.pdbx ordinal: 114
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H61,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H61
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 22.9925
chem comp atom.drawing 2d coord y: -1.845
chem comp atom.pdbx ordinal: 115
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H63,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H63
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 22.1455
chem comp atom.drawing 2d coord y: -1.6181
chem comp atom.pdbx ordinal: 116
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H94,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H94
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.1191
chem comp atom.drawing 2d coord y: 5.4276
chem comp atom.pdbx ordinal: 117
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H95,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H95
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 9.7206
chem comp atom.drawing 2d coord y: 4.7373
chem comp atom.pdbx ordinal: 118
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H91,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H91
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 11.7341
chem comp atom.drawing 2d coord y: 5.035
chem comp atom.pdbx ordinal: 119
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H90,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H90
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 11.7341
chem comp atom.drawing 2d coord y: 6.655
chem comp atom.pdbx ordinal: 120
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H86,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H86
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 9.7206
chem comp atom.drawing 2d coord y: 6.9527
chem comp atom.pdbx ordinal: 121
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H87,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H87
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.1191
chem comp atom.drawing 2d coord y: 6.2624
chem comp atom.pdbx ordinal: 122
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H72,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H72
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 8.1316
chem comp atom.drawing 2d coord y: 8.82
chem comp atom.pdbx ordinal: 123
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H73,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H73
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 7.3346
chem comp atom.drawing 2d coord y: 8.82
chem comp atom.pdbx ordinal: 124
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H76,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H76
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 8.2006
chem comp atom.drawing 2d coord y: 7.37
chem comp atom.pdbx ordinal: 125
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H77,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H77
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 8.9976
chem comp atom.drawing 2d coord y: 7.37
chem comp atom.pdbx ordinal: 126
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H68,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H68
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.4685
chem comp atom.drawing 2d coord y: 7.37
chem comp atom.pdbx ordinal: 127
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H69,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H69
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 7.2656
chem comp atom.drawing 2d coord y: 7.37
chem comp atom.pdbx ordinal: 128
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H83,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H83
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 10.8681
chem comp atom.drawing 2d coord y: 8.155
chem comp atom.pdbx ordinal: 129
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H80,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H80
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 9.4651
chem comp atom.drawing 2d coord y: 8.965
chem comp atom.pdbx ordinal: 130
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H64,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H64
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 6.3996
chem comp atom.drawing 2d coord y: 8.82
chem comp atom.pdbx ordinal: 131
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H65,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H65
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 5.6025
chem comp atom.drawing 2d coord y: 8.82
chem comp atom.pdbx ordinal: 132
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H59,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H59
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 4.825
chem comp atom.drawing 2d coord y: 8.3819
chem comp atom.pdbx ordinal: 133
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H58,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H58
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 4.5981
chem comp atom.drawing 2d coord y: 7.535
chem comp atom.pdbx ordinal: 134
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H60,BMET001107,bmse001107
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
chem comp atom.atom id: H60
chem comp atom.comp id: BMET001107
chem comp atom.entry id: bmse001107
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.drawing 2d coord x: 5.445
chem comp atom.drawing 2d coord y: 7.3081
chem comp atom.pdbx ordinal: 135
chem comp atom.stereo config: N
chem comp atom.type symbol: H

BMET001107,bmse001107,1
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P57
chem comp bond.atom id 2: O56
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,2
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P57
chem comp bond.atom id 2: O54
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,3
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 3
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P57
chem comp bond.atom id 2: O51
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,4
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 4
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P57
chem comp bond.atom id 2: O52
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: DOUB

BMET001107,bmse001107,5
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 5
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O56
chem comp bond.atom id 2: C43
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,6
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 6
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O49
chem comp bond.atom id 2: C41
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,7
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 7
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O49
chem comp bond.atom id 2: H128
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,8
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 8
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O50
chem comp bond.atom id 2: C42
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,9
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 9
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O50
chem comp bond.atom id 2: H129
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,10
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 10
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O47
chem comp bond.atom id 2: C39
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,11
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 11
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O47
chem comp bond.atom id 2: H126
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,12
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 12
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C40
chem comp bond.atom id 2: O48
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,13
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 13
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O48
chem comp bond.atom id 2: H127
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,14
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 14
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O46
chem comp bond.atom id 2: C38
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,15
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 15
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O46
chem comp bond.atom id 2: H125
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,16
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 16
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O54
chem comp bond.atom id 2: C34
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,17
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 17
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O55
chem comp bond.atom id 2: C35
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,18
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 18
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O55
chem comp bond.atom id 2: C37
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.type: ester
chem comp bond.value order: SING

BMET001107,bmse001107,19
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 19
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O53
chem comp bond.atom id 2: C33
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,20
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 20
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O53
chem comp bond.atom id 2: C36
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.type: ester
chem comp bond.value order: SING

BMET001107,bmse001107,21
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 21
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O45
chem comp bond.atom id 2: C37
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

BMET001107,bmse001107,22
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 22
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O44
chem comp bond.atom id 2: C36
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

BMET001107,bmse001107,23
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 23
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C43
chem comp bond.atom id 2: C41
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,24
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 24
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C43
chem comp bond.atom id 2: C42
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,25
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 25
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C43
chem comp bond.atom id 2: H134
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,26
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 26
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C41
chem comp bond.atom id 2: C39
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,27
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 27
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C41
chem comp bond.atom id 2: H135
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,28
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C42
chem comp bond.atom id 2: C40
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,29
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C42
chem comp bond.atom id 2: H132
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,30
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 30
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C39
chem comp bond.atom id 2: C38
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,31
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 31
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C39
chem comp bond.atom id 2: H133
chem comp bond.ordinal: 31
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,32
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 32
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C40
chem comp bond.atom id 2: C38
chem comp bond.ordinal: 32
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,33
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 33
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C40
chem comp bond.atom id 2: H131
chem comp bond.ordinal: 33
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,34
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 34
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C38
chem comp bond.atom id 2: H130
chem comp bond.ordinal: 34
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,35
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 35
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: C35
chem comp bond.ordinal: 35
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,36
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 36
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: H122
chem comp bond.ordinal: 36
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,37
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 37
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: H123
chem comp bond.ordinal: 37
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,38
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 38
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: C33
chem comp bond.ordinal: 38
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,39
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 39
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: H124
chem comp bond.ordinal: 39
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,40
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 40
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C16
chem comp bond.ordinal: 40
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,41
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 41
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C21
chem comp bond.ordinal: 41
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,42
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 42
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H92
chem comp bond.ordinal: 42
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,43
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 43
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H93
chem comp bond.ordinal: 43
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,44
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 44
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C14
chem comp bond.ordinal: 44
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,45
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 45
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H88
chem comp bond.ordinal: 45
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,46
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 46
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H89
chem comp bond.ordinal: 46
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,47
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 47
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C23
chem comp bond.ordinal: 47
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,48
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 48
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H96
chem comp bond.ordinal: 48
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,49
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 49
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H97
chem comp bond.ordinal: 49
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,50
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 50
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C12
chem comp bond.ordinal: 50
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,51
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 51
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H84
chem comp bond.ordinal: 51
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,52
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 52
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H85
chem comp bond.ordinal: 52
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,53
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 53
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C25
chem comp bond.ordinal: 53
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,54
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 54
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H100
chem comp bond.ordinal: 54
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,55
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 55
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H101
chem comp bond.ordinal: 55
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,56
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 56
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: H120
chem comp bond.ordinal: 56
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,57
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 57
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: H121
chem comp bond.ordinal: 57
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,58
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 58
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C10
chem comp bond.ordinal: 58
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,59
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 59
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H81
chem comp bond.ordinal: 59
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,60
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 60
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H82
chem comp bond.ordinal: 60
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,61
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 61
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C27
chem comp bond.ordinal: 61
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,62
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 62
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H104
chem comp bond.ordinal: 62
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,63
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 63
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H105
chem comp bond.ordinal: 63
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,64
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 64
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C8
chem comp bond.ordinal: 64
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,65
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 65
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H78
chem comp bond.ordinal: 65
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,66
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 66
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H79
chem comp bond.ordinal: 66
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,67
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 67
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C29
chem comp bond.ordinal: 67
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,68
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 68
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H108
chem comp bond.ordinal: 68
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,69
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 69
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H109
chem comp bond.ordinal: 69
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,70
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 70
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 70
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,71
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 71
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H74
chem comp bond.ordinal: 71
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,72
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 72
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H75
chem comp bond.ordinal: 72
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,73
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 73
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: C31
chem comp bond.ordinal: 73
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,74
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 74
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: H112
chem comp bond.ordinal: 74
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,75
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 75
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: H113
chem comp bond.ordinal: 75
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,76
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 76
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 76
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,77
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 77
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H70
chem comp bond.ordinal: 77
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,78
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 78
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H71
chem comp bond.ordinal: 78
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,79
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 79
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: C36
chem comp bond.ordinal: 79
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,80
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 80
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: H116
chem comp bond.ordinal: 80
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,81
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 81
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: H117
chem comp bond.ordinal: 81
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,82
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 82
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C37
chem comp bond.atom id 2: C32
chem comp bond.ordinal: 82
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,83
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 83
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: C30
chem comp bond.ordinal: 83
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,84
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 84
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: H118
chem comp bond.ordinal: 84
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,85
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 85
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: H119
chem comp bond.ordinal: 85
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,86
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 86
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 86
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,87
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 87
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H66
chem comp bond.ordinal: 87
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,88
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 88
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H67
chem comp bond.ordinal: 88
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,89
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 89
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: C28
chem comp bond.ordinal: 89
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,90
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 90
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: H114
chem comp bond.ordinal: 90
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,91
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 91
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: H115
chem comp bond.ordinal: 91
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,92
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 92
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C26
chem comp bond.ordinal: 92
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,93
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 93
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H110
chem comp bond.ordinal: 93
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,94
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 94
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H111
chem comp bond.ordinal: 94
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,95
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 95
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C24
chem comp bond.ordinal: 95
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,96
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 96
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: H106
chem comp bond.ordinal: 96
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,97
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 97
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: H107
chem comp bond.ordinal: 97
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,98
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 98
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C22
chem comp bond.ordinal: 98
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,99
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 99
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H102
chem comp bond.ordinal: 99
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,100
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 100
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H103
chem comp bond.ordinal: 100
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,101
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 101
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C20
chem comp bond.ordinal: 101
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,102
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 102
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H98
chem comp bond.ordinal: 102
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,103
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 103
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H99
chem comp bond.ordinal: 103
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,104
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 104
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H62
chem comp bond.ordinal: 104
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,105
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 105
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H61
chem comp bond.ordinal: 105
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,106
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 106
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H63
chem comp bond.ordinal: 106
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,107
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 107
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C18
chem comp bond.ordinal: 107
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,108
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 108
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H94
chem comp bond.ordinal: 108
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,109
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 109
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H95
chem comp bond.ordinal: 109
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,110
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 110
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C17
chem comp bond.ordinal: 110
chem comp bond.stereo config: Z
chem comp bond.type: covalent
chem comp bond.value order: DOUB

BMET001107,bmse001107,111
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 111
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H91
chem comp bond.ordinal: 111
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,112
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 112
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C15
chem comp bond.ordinal: 112
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,113
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 113
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H90
chem comp bond.ordinal: 113
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,114
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 114
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C13
chem comp bond.ordinal: 114
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,115
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 115
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H86
chem comp bond.ordinal: 115
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,116
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 116
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H87
chem comp bond.ordinal: 116
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,117
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 117
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C9
chem comp bond.ordinal: 117
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,118
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 118
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 118
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,119
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 119
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H72
chem comp bond.ordinal: 119
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,120
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 120
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H73
chem comp bond.ordinal: 120
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,121
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 121
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C11
chem comp bond.ordinal: 121
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,122
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 122
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H76
chem comp bond.ordinal: 122
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,123
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 123
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H77
chem comp bond.ordinal: 123
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,124
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 124
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C3
chem comp bond.ordinal: 124
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,125
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 125
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H68
chem comp bond.ordinal: 125
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,126
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 126
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H69
chem comp bond.ordinal: 126
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,127
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 127
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C11
chem comp bond.ordinal: 127
chem comp bond.stereo config: Z
chem comp bond.type: covalent
chem comp bond.value order: DOUB

BMET001107,bmse001107,128
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 128
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H83
chem comp bond.ordinal: 128
chem comp bond.stereo config: N
chem comp bond.type: covalent
chem comp bond.value order: SING

BMET001107,bmse001107,129
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001107
chem comp bond.comp id: BMET001107
chem comp bond.entry id: bmse001107
chem comp bond.id: 129
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chem comp bond.ordinal: 129
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BMET001107,bmse001107,130
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chem comp citation.comp id: BMET001107
chem comp citation.entry id: bmse001107
chem comp citation.citation label: citation_pubchem

BMET001107,bmse001107,L-alpha-phosphatidylinositol,name
type: chem comp common name
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chem comp common name.entry id: bmse001107
chem comp common name.name: L-alpha-phosphatidylinositol
chem comp common name.type: name

cq 18525,BMET001107,MMCD,bmse001107
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chem comp db link.database code: MMCD
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chem comp db link.author supplied: yes

25244954,BMET001107,PubChem,bmse001107
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chem comp db link.comp id: BMET001107
chem comp db link.database code: PubChem
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chem comp db link.accession code type: cid
chem comp db link.author supplied: yes

info:pubchem.compound/25244954

urn:miriam:pubchem.compound:25244954

chem comp descriptorCategory
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has chem comp descriptor: 2015.09
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has chem comp descriptor: 2.3
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chem comp descriptor.entry id: bmse001107
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chem comp descriptor.program version: 1.0
chem comp descriptor.type: INCHI

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chem comp descriptor.entry id: bmse001107
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chem comp descriptor.program version: 2.3.2
chem comp descriptor.type: na

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chem comp descriptor.program version: na
chem comp descriptor.type: na

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chem comp descriptor.program version: 2015.09.2
chem comp descriptor.type: na

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chem comp descriptor.comp id: BMET001107
chem comp descriptor.descriptor: CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OC1C(O)C(O)C(O)C(O)C1O
chem comp descriptor.entry id: bmse001107
chem comp descriptor.program: na
chem comp descriptor.program version: 2015.09.2
chem comp descriptor.type: SMILES_CANONICAL

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type: chem comp descriptor
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chem comp descriptor.comp id: BMET001107
chem comp descriptor.descriptor: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCC=CCCCCC
chem comp descriptor.entry id: bmse001107
chem comp descriptor.program: na
chem comp descriptor.program version: na
chem comp descriptor.type: SMILES_CANONICAL

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chem comp descriptor.comp id: BMET001107
chem comp descriptor.descriptor: InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/p-1/b13-11-,18-17-/t35?,38?,39-,40?,41?,42?,43?/m1/s1
chem comp descriptor.entry id: bmse001107
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type: chem comp descriptor
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chem comp descriptor.comp id: BMET001107
chem comp descriptor.descriptor: InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/p-1/b13-11-,18-17-/t35?,38?,39-,40?,41?,42?,43?/m1/s1
chem comp descriptor.entry id: bmse001107
chem comp descriptor.program: na
chem comp descriptor.program version: na
chem comp descriptor.type: INCHI

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type: chem comp descriptor
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chem comp descriptor.comp id: BMET001107
chem comp descriptor.descriptor: InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/p-1/b13-11-,18-17-/t35?,38?,39-,40?,41?,42?,43?/m1/s1
chem comp descriptor.entry id: bmse001107
chem comp descriptor.program: na
chem comp descriptor.program version: 2015.09.2
chem comp descriptor.type: INCHI

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type: chem comp descriptor
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chem comp descriptor.comp id: BMET001107
chem comp descriptor.descriptor: P(OC1C(O)C(O)C(O)C(O)C1O)(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)([O-])=O
chem comp descriptor.entry id: bmse001107
chem comp descriptor.program: na
chem comp descriptor.program version: 2015.09.2
chem comp descriptor.type: SMILES

BMET001107,bmse001107,(3-(1-oxohexadecoxy)-2-((9Z,12Z)-1-oxooctadeca-9,12-dienoxy)propyl) ((5R)-2,3,4,5,6-pentahydroxycyclohexyl) phosphate,OTHER,na,PUBCHEM IUPAC CAS NAME
type: chem comp identifier
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chem comp identifier.comp id: BMET001107
chem comp identifier.entry id: bmse001107
chem comp identifier.identifier: [3-(1-oxohexadecoxy)-2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
chem comp identifier.program: OTHER
chem comp identifier.program version: na
chem comp identifier.type: PUBCHEM_IUPAC_CAS_NAME

BMET001107,bmse001107,(3-hexadecanoyloxy-2-((9Z,12Z)-octadeca-9,12-dienoyl)oxy-propyl) ((5R)-2,3,4,5,6-pentahydroxycyclohexyl) phosphate,OTHER,na,PUBCHEM IUPAC OPENEYE NAME
type: chem comp identifier
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chem comp identifier.comp id: BMET001107
chem comp identifier.entry id: bmse001107
chem comp identifier.identifier: [3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
chem comp identifier.program: OTHER
chem comp identifier.program version: na
chem comp identifier.type: PUBCHEM_IUPAC_OPENEYE_NAME

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chem comp identifier.entry id: bmse001107
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chem comp identifier.program: OTHER
chem comp identifier.program version: na
chem comp identifier.type: PUBCHEM_IUPAC_TRADITIONAL_NAME

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chem comp identifier.entry id: bmse001107
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chem comp identifier.type: PUBCHEM_IUPAC_SYSTEMATIC_NAME

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chem comp identifier.entry id: bmse001107
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chem comp identifier.program: OTHER
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chem comp identifier.type: PUBCHEM_IUPAC_NAME

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chem shift experiment.sample state: isotropic

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chem shift experiment.sample state: isotropic

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chem shift experiment.experiment name: 1D 13C
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chem shift experiment.sample state: isotropic

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chem shift experiment.sample state: isotropic

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chem shift ref.atom type: C
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chem shift ref.mol common name: TMS
chem shift ref.atom group: na
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.0
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chem shift ref.indirect shift ratio cit id: 0
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experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

bmse001107,1,6
type: experiment
of datablock: info:bmrb.metabolomics/bmse001107
experiment.entry id: bmse001107
experiment.experiment list id: 1
experiment.id: 6
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D 1H-13C HSQC
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: kerry
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

bmse001107,1,7
type: experiment
of datablock: info:bmrb.metabolomics/bmse001107
experiment.entry id: bmse001107
experiment.experiment list id: 1
experiment.id: 7
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D 1H-13C HSQC SW small
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: kerry
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

bmse001107,1,8
type: experiment
of datablock: info:bmrb.metabolomics/bmse001107
experiment.entry id: bmse001107
experiment.experiment list id: 1
experiment.id: 8
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D 1H-13C HMBC
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: kerry
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

bmse001107,1,9
type: experiment
of datablock: info:bmrb.metabolomics/bmse001107
experiment.entry id: bmse001107
experiment.experiment list id: 1
experiment.id: 9
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D 1H-1H COSY
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: kerry
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

bmse001107,1,10
type: experiment
of datablock: info:bmrb.metabolomics/bmse001107
experiment.entry id: bmse001107
experiment.experiment list id: 1
experiment.id: 10
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D 1H-13C HSQC-TOCSY-ADIA
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: kerry
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

1,1D 1H
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 1
experiment file.name: 1D_1H
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/directory

1,1D 1H.xml
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 1
experiment file.name: 1D_1H.xml
experiment file.details: TopSpin peak list
experiment file.directory path: nmr/set01/transitions/1D_1H
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/xml

1,1D 1H 0.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 1
experiment file.name: 1D_1H_0.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra/1D_1H
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: image/png

2,2D 1H-1H TOCSY
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 2
experiment file.name: 2D_1H-1H_TOCSY
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/directory

2,2D 1H-1H TOCSY 0.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 2
experiment file.name: 2D_1H-1H_TOCSY_0.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra/2D_1H-1H_TOCSY
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: image/png

3,1D 13C
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 3
experiment file.name: 1D_13C
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/directory

3,1D 13C.xml
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 3
experiment file.name: 1D_13C.xml
experiment file.details: TopSpin peak list
experiment file.directory path: nmr/set01/transitions/1D_13C
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/xml

3,1D 13C 0.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 3
experiment file.name: 1D_13C_0.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra/1D_13C
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: image/png

4,1D DEPT90
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 4
experiment file.name: 1D_DEPT90
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/directory

4,1D DEPT90.xml
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 4
experiment file.name: 1D_DEPT90.xml
experiment file.details: TopSpin peak list
experiment file.directory path: nmr/set01/transitions/1D_DEPT90
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/xml

4,1D DEPT90 0.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 4
experiment file.name: 1D_DEPT90_0.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra/1D_DEPT90
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: image/png

5,1D DEPT135
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 5
experiment file.name: 1D_DEPT135
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/directory

5,1D DEPT135.xml
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 5
experiment file.name: 1D_DEPT135.xml
experiment file.details: TopSpin peak list
experiment file.directory path: nmr/set01/transitions/1D_DEPT135
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/xml

5,1D DEPT135 0.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 5
experiment file.name: 1D_DEPT135_0.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra/1D_DEPT135
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: image/png

6,2D 1H-13C HSQC
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 6
experiment file.name: 2D_1H-13C_HSQC
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/directory

6,2D 1H-13C HSQC.xml
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 6
experiment file.name: 2D_1H-13C_HSQC.xml
experiment file.details: TopSpin peak list
experiment file.directory path: nmr/set01/transitions/2D_1H-13C_HSQC
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/xml

6,2D 1H-13C HSQC 0.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 6
experiment file.name: 2D_1H-13C_HSQC_0.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra/2D_1H-13C_HSQC
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: image/png

7,2D 1H-13C HSQC SW small
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 7
experiment file.name: 2D_1H-13C_HSQC_SW_small
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/directory

8,2D 1H-13C HMBC
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 8
experiment file.name: 2D_1H-13C_HMBC
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/directory

8,2D 1H-13C HMBC 0.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 8
experiment file.name: 2D_1H-13C_HMBC_0.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra/2D_1H-13C_HMBC
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: image/png

9,2D 1H-1H COSY
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 9
experiment file.name: 2D_1H-1H_COSY
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/directory

9,2D 1H-1H COSY 0.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 9
experiment file.name: 2D_1H-1H_COSY_0.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra/2D_1H-1H_COSY
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: image/png

10,2D 1H-13C HSQC-TOCSY-ADIA
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 10
experiment file.name: 2D_1H-13C_HSQC-TOCSY-ADIA
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: text/directory

10,2D 1H-13C HSQC-TOCSY-ADIA 0.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001107
experiment file.experiment id: 10
experiment file.name: 2D_1H-13C_HSQC-TOCSY-ADIA_0.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra/2D_1H-13C_HSQC-TOCSY-ADIA
experiment file.entry id: bmse001107
experiment file.experiment list id: 1
experiment file.type: image/png

bmse001107,1
type: experiment list
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
experiment list.entry id: bmse001107
experiment list.id: 1
experiment list.sf category: experiment_list
experiment list.sf framecode: experiment_list

bmse001107,1
type: nmr spectrometer
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
nmr spectrometer.entry id: bmse001107
nmr spectrometer.id: 1
nmr spectrometer.details: equipped with SampleJet automated sample changer
nmr spectrometer.field strength: 500
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: Avance III
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: kerry

bmse001107,1
type: release
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
release.entry id: bmse001107
release.release number: 1
release.author: BMRB
release.date: 2016-02-16Z
release.type: original

bmse001107,2
type: release
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
release.entry id: bmse001107
release.release number: 2
release.author: BMRB
release.date: 2017-10-11Z
release.detail: Remediated Experiment_file loop if present and standardized mol and png file tags.
release.submission date: 2017-10-11Z
release.type: update

bmse001107,3
type: release
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
release.entry id: bmse001107
release.release number: 3
release.author: BMRB
release.date: 2017-12-18Z
release.detail: InChI numbering updated according to ALATIS
release.submission date: 2017-10-11Z
release.type: update

bmse001107,1
type: sample
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
sample.entry id: bmse001107
sample.id: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_1
sample.type: solution

bmse001107,1,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse001107
sample component.entry id: bmse001107
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.assembly label: assembly_1
sample component.concentration val: 100
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: entity_1
sample component.isotopic labeling: natural abundance
sample component.mol common name: L-alpha-phosphatidylinositol
sample component.type: solute
sample component.vendor: Avanti Polar Lipids, Inc.
sample component.vendor product code: 840044
sample component.vendor product name: L-alpha-phosphatidylinositol

bmse001107,2,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse001107
sample component.entry id: bmse001107
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 65.0
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: Chloroform-d
sample component.type: solvent

bmse001107,3,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse001107
sample component.entry id: bmse001107
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 35.0
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: Methanol-d4
sample component.type: solvent

bmse001107,4,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse001107
sample component.entry id: bmse001107
sample component.id: 4
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 0.05
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: TMS
sample component.type: reference

bmse001107,1
type: sample condition list
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
sample condition list.entry id: bmse001107
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

bmse001107,1,pressure
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse001107
sample condition variable.entry id: bmse001107
sample condition variable.sample condition list id: 1
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

bmse001107,1,temperature
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse001107
sample condition variable.entry id: bmse001107
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val err: 0.1
sample condition variable.val units: K

bmse001107,1
type: software
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
software.entry id: bmse001107
software.id: 1
software.name: TopSpin
software.sf category: software
software.sf framecode: software_topspin
software.version: 2.1

bmse001107,2
type: software
of datablock: info:bmrb.metabolomics/bmse001107
reference to entry: bmse001107
software.entry id: bmse001107
software.id: 2
software.name: NMRbot
software.sf category: software
software.sf framecode: software_nmrbot
software.version: 20140226

2,bmse001107,2
type: software citation
of datablock: info:bmrb.metabolomics/bmse001107
software citation.citation id: 2
software citation.entry id: bmse001107
software citation.software id: 2
software citation.citation label: citation_nmrbot

H,bmse001107,1,1,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse001107
spectral dim.atom type: H
spectral dim.entry id: bmse001107
spectral dim.id: 1
spectral dim.spectral peak list id: 1
spectral dim.spectral region: Full H
spectral dim.atom isotope number: 1
spectral dim.sweep width: 16.03
spectral dim.sweep width units: ppm

C,bmse001107,2,3,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse001107
spectral dim.atom type: C
spectral dim.entry id: bmse001107
spectral dim.id: 2
spectral dim.spectral peak list id: 3
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 236.77
spectral dim.sweep width units: ppm

C,bmse001107,3,4,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse001107
spectral dim.atom type: C
spectral dim.entry id: bmse001107
spectral dim.id: 3
spectral dim.spectral peak list id: 4
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 236.77
spectral dim.sweep width units: ppm

C,bmse001107,4,5,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse001107
spectral dim.atom type: C
spectral dim.entry id: bmse001107
spectral dim.id: 4
spectral dim.spectral peak list id: 5
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 236.77
spectral dim.sweep width units: ppm

C,bmse001107,5,6,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse001107
spectral dim.atom type: C
spectral dim.entry id: bmse001107
spectral dim.id: 5
spectral dim.spectral peak list id: 6
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 165.64
spectral dim.sweep width units: ppm

H,bmse001107,6,6,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse001107
spectral dim.atom type: H
spectral dim.entry id: bmse001107
spectral dim.id: 6
spectral dim.spectral peak list id: 6
spectral dim.spectral region: Full H
spectral dim.atom isotope number: 1
spectral dim.sweep width: 12.99
spectral dim.sweep width units: ppm

bmse001107,1,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 1
spectral transition.spectral peak list id: 1

bmse001107,2,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 2
spectral transition.spectral peak list id: 1

bmse001107,3,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 3
spectral transition.spectral peak list id: 1

bmse001107,4,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 4
spectral transition.spectral peak list id: 1

bmse001107,5,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 5
spectral transition.spectral peak list id: 1

bmse001107,6,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 6
spectral transition.spectral peak list id: 1

bmse001107,7,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 7
spectral transition.spectral peak list id: 1

bmse001107,8,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 8
spectral transition.spectral peak list id: 1

bmse001107,9,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 9
spectral transition.spectral peak list id: 1

bmse001107,10,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 10
spectral transition.spectral peak list id: 1

bmse001107,11,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 11
spectral transition.spectral peak list id: 1

bmse001107,12,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
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of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 126
spectral transition.spectral peak list id: 5

bmse001107,127,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 127
spectral transition.spectral peak list id: 5

bmse001107,128,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 128
spectral transition.spectral peak list id: 5

bmse001107,129,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 129
spectral transition.spectral peak list id: 5

bmse001107,130,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 130
spectral transition.spectral peak list id: 5

bmse001107,131,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 131
spectral transition.spectral peak list id: 5

bmse001107,132,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 132
spectral transition.spectral peak list id: 5

bmse001107,133,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 133
spectral transition.spectral peak list id: 5

bmse001107,134,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 134
spectral transition.spectral peak list id: 5

bmse001107,135,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 135
spectral transition.spectral peak list id: 5

bmse001107,136,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 136
spectral transition.spectral peak list id: 5

bmse001107,137,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 137
spectral transition.spectral peak list id: 5

bmse001107,138,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 138
spectral transition.spectral peak list id: 5

bmse001107,139,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 139
spectral transition.spectral peak list id: 5

bmse001107,140,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 140
spectral transition.spectral peak list id: 5

bmse001107,141,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 141
spectral transition.spectral peak list id: 5

bmse001107,142,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 142
spectral transition.spectral peak list id: 5

bmse001107,143,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 143
spectral transition.spectral peak list id: 5

bmse001107,144,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 144
spectral transition.spectral peak list id: 5

bmse001107,145,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 145
spectral transition.spectral peak list id: 5

bmse001107,146,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 146
spectral transition.spectral peak list id: 5

bmse001107,147,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 147
spectral transition.spectral peak list id: 5

bmse001107,148,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 148
spectral transition.spectral peak list id: 5

bmse001107,149,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 149
spectral transition.spectral peak list id: 5

bmse001107,150,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 150
spectral transition.spectral peak list id: 5

bmse001107,151,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 151
spectral transition.spectral peak list id: 5

bmse001107,152,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 152
spectral transition.spectral peak list id: 5

bmse001107,153,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 153
spectral transition.spectral peak list id: 5

bmse001107,154,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 154
spectral transition.spectral peak list id: 5

bmse001107,155,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 155
spectral transition.spectral peak list id: 5

bmse001107,156,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 156
spectral transition.spectral peak list id: 5

bmse001107,157,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 157
spectral transition.spectral peak list id: 5

bmse001107,158,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 158
spectral transition.spectral peak list id: 5

bmse001107,159,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 159
spectral transition.spectral peak list id: 5

bmse001107,160,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 160
spectral transition.spectral peak list id: 5

bmse001107,161,5
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 161
spectral transition.spectral peak list id: 5

bmse001107,162,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 162
spectral transition.spectral peak list id: 6

bmse001107,163,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 163
spectral transition.spectral peak list id: 6

bmse001107,164,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 164
spectral transition.spectral peak list id: 6

bmse001107,165,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 165
spectral transition.spectral peak list id: 6

bmse001107,166,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 166
spectral transition.spectral peak list id: 6

bmse001107,167,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 167
spectral transition.spectral peak list id: 6

bmse001107,168,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 168
spectral transition.spectral peak list id: 6

bmse001107,169,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 169
spectral transition.spectral peak list id: 6

bmse001107,170,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 170
spectral transition.spectral peak list id: 6

bmse001107,171,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 171
spectral transition.spectral peak list id: 6

bmse001107,172,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 172
spectral transition.spectral peak list id: 6

bmse001107,173,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 173
spectral transition.spectral peak list id: 6

bmse001107,174,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 174
spectral transition.spectral peak list id: 6

bmse001107,175,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 175
spectral transition.spectral peak list id: 6

bmse001107,176,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 176
spectral transition.spectral peak list id: 6

bmse001107,177,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 177
spectral transition.spectral peak list id: 6

bmse001107,178,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 178
spectral transition.spectral peak list id: 6

bmse001107,179,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 179
spectral transition.spectral peak list id: 6

bmse001107,180,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 180
spectral transition.spectral peak list id: 6

bmse001107,181,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 181
spectral transition.spectral peak list id: 6

bmse001107,182,6
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition.entry id: bmse001107
spectral transition.id: 182
spectral transition.spectral peak list id: 6

bmse001107,1,1,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 1
spectral transition char.chem shift val: 12.7639

bmse001107,1,1,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 2
spectral transition char.chem shift val: 7.4312

bmse001107,1,1,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 3
spectral transition char.chem shift val: 5.3836

bmse001107,1,1,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 4
spectral transition char.chem shift val: 5.3696

bmse001107,1,1,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 5
spectral transition char.chem shift val: 5.3568

bmse001107,1,1,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 6
spectral transition char.chem shift val: 5.3480

bmse001107,1,1,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 7
spectral transition char.chem shift val: 5.3349

bmse001107,1,1,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 8
spectral transition char.chem shift val: 5.3244

bmse001107,1,1,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 9
spectral transition char.chem shift val: 5.3143

bmse001107,1,1,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 10
spectral transition char.chem shift val: 5.3079

bmse001107,1,1,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 11
spectral transition char.chem shift val: 5.3004

bmse001107,1,1,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 12
spectral transition char.chem shift val: 5.2934

bmse001107,1,1,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 13
spectral transition char.chem shift val: 5.2865

bmse001107,1,1,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 14
spectral transition char.chem shift val: 5.2722

bmse001107,1,1,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 15
spectral transition char.chem shift val: 5.2513

bmse001107,1,1,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 16
spectral transition char.chem shift val: 4.4336

bmse001107,1,1,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 17
spectral transition char.chem shift val: 4.4141

bmse001107,1,1,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 18
spectral transition char.chem shift val: 4.3760

bmse001107,1,1,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 19
spectral transition char.chem shift val: 4.1808

bmse001107,1,1,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 20
spectral transition char.chem shift val: 4.1661

bmse001107,1,1,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 21
spectral transition char.chem shift val: 4.1428

bmse001107,1,1,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 22
spectral transition char.chem shift val: 4.0443

bmse001107,1,1,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 23
spectral transition char.chem shift val: 4.0332

bmse001107,1,1,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 24
spectral transition char.chem shift val: 4.0016

bmse001107,1,1,25
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 25
spectral transition char.chem shift val: 3.9907

bmse001107,1,1,26
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 26
spectral transition char.chem shift val: 3.8978

bmse001107,1,1,27
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 27
spectral transition char.chem shift val: 3.7974

bmse001107,1,1,28
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 28
spectral transition char.chem shift val: 3.7786

bmse001107,1,1,29
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 29
spectral transition char.chem shift val: 3.7597

bmse001107,1,1,30
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 30
spectral transition char.chem shift val: 3.6780

bmse001107,1,1,31
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 31
spectral transition char.chem shift val: 3.6590

bmse001107,1,1,32
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 32
spectral transition char.chem shift val: 3.6400

bmse001107,1,1,33
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 33
spectral transition char.chem shift val: 3.4676

bmse001107,1,1,34
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 34
spectral transition char.chem shift val: 3.4463

bmse001107,1,1,35
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 35
spectral transition char.chem shift val: 3.3371

bmse001107,1,1,36
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 36
spectral transition char.chem shift val: 3.3339

bmse001107,1,1,37
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 37
spectral transition char.chem shift val: 3.3307

bmse001107,1,1,38
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 38
spectral transition char.chem shift val: 3.3274

bmse001107,1,1,39
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 39
spectral transition char.chem shift val: 3.3241

bmse001107,1,1,40
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 40
spectral transition char.chem shift val: 3.2912

bmse001107,1,1,41
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 41
spectral transition char.chem shift val: 3.2726

bmse001107,1,1,42
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 42
spectral transition char.chem shift val: 3.2540

bmse001107,1,1,43
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 43
spectral transition char.chem shift val: 2.7857

bmse001107,1,1,44
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 44
spectral transition char.chem shift val: 2.7630

bmse001107,1,1,45
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 45
spectral transition char.chem shift val: 2.7497

bmse001107,1,1,46
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 46
spectral transition char.chem shift val: 2.7364

bmse001107,1,1,47
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 47
spectral transition char.chem shift val: 2.3296

bmse001107,1,1,48
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 48
spectral transition char.chem shift val: 2.3145

bmse001107,1,1,49
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 49
spectral transition char.chem shift val: 2.2994

bmse001107,1,1,50
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 50
spectral transition char.chem shift val: 2.2847

bmse001107,1,1,51
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 51
spectral transition char.chem shift val: 2.2693

bmse001107,1,1,52
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 52
spectral transition char.chem shift val: 2.0525

bmse001107,1,1,53
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 53
spectral transition char.chem shift val: 2.0393

bmse001107,1,1,54
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 54
spectral transition char.chem shift val: 2.0252

bmse001107,1,1,55
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 55
spectral transition char.chem shift val: 2.0108

bmse001107,1,1,56
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 56
spectral transition char.chem shift val: 1.5832

bmse001107,1,1,57
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 57
spectral transition char.chem shift val: 1.5712

bmse001107,1,1,58
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 58
spectral transition char.chem shift val: 1.4454

bmse001107,1,1,59
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 59
spectral transition char.chem shift val: 1.3660

bmse001107,1,1,60
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 60
spectral transition char.chem shift val: 1.3502

bmse001107,1,1,61
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 61
spectral transition char.chem shift val: 1.3373

bmse001107,1,1,62
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 62
spectral transition char.chem shift val: 1.3233

bmse001107,1,1,63
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 63
spectral transition char.chem shift val: 1.2890

bmse001107,1,1,64
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 64
spectral transition char.chem shift val: 1.2617

bmse001107,1,1,65
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 65
spectral transition char.chem shift val: 1.2385

bmse001107,1,1,66
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 66
spectral transition char.chem shift val: 0.9696

bmse001107,1,1,67
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 67
spectral transition char.chem shift val: 0.9545

bmse001107,1,1,68
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 68
spectral transition char.chem shift val: 0.9394

bmse001107,1,1,69
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 69
spectral transition char.chem shift val: 0.8845

bmse001107,1,1,70
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 70
spectral transition char.chem shift val: 0.8711

bmse001107,1,1,71
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 71
spectral transition char.chem shift val: 0.8587

bmse001107,1,1,72
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 72
spectral transition char.chem shift val: 0.8447

bmse001107,1,3,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 1
spectral transition char.chem shift val: 174.3369

bmse001107,1,3,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 2
spectral transition char.chem shift val: 173.9837

bmse001107,1,3,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 3
spectral transition char.chem shift val: 130.4366

bmse001107,1,3,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 4
spectral transition char.chem shift val: 130.1551

bmse001107,1,3,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 5
spectral transition char.chem shift val: 128.3337

bmse001107,1,3,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 6
spectral transition char.chem shift val: 128.1173

bmse001107,1,3,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 7
spectral transition char.chem shift val: 74.5079

bmse001107,1,3,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 8
spectral transition char.chem shift val: 72.5885

bmse001107,1,3,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 9
spectral transition char.chem shift val: 71.8470

bmse001107,1,3,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 10
spectral transition char.chem shift val: 71.7794

bmse001107,1,3,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 11
spectral transition char.chem shift val: 71.4232

bmse001107,1,3,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 12
spectral transition char.chem shift val: 70.7734

bmse001107,1,3,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 13
spectral transition char.chem shift val: 70.7090

bmse001107,1,3,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 14
spectral transition char.chem shift val: 64.0387

bmse001107,1,3,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 15
spectral transition char.chem shift val: 63.1029

bmse001107,1,3,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 16
spectral transition char.chem shift val: 34.4786

bmse001107,1,3,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 17
spectral transition char.chem shift val: 34.3605

bmse001107,1,3,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 18
spectral transition char.chem shift val: 32.1966

bmse001107,1,3,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 19
spectral transition char.chem shift val: 31.7807

bmse001107,1,3,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 20
spectral transition char.chem shift val: 29.9893

bmse001107,1,3,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 21
spectral transition char.chem shift val: 29.9594

bmse001107,1,3,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 22
spectral transition char.chem shift val: 29.9371

bmse001107,1,3,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 23
spectral transition char.chem shift val: 29.8517

bmse001107,1,3,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 24
spectral transition char.chem shift val: 29.6553

bmse001107,1,3,25
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 25
spectral transition char.chem shift val: 29.6417

bmse001107,1,3,26
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 26
spectral transition char.chem shift val: 29.6061

bmse001107,1,3,27
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 27
spectral transition char.chem shift val: 29.5033

bmse001107,1,3,28
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 28
spectral transition char.chem shift val: 29.4749

bmse001107,1,3,29
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 29
spectral transition char.chem shift val: 29.4022

bmse001107,1,3,30
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 30
spectral transition char.chem shift val: 27.4714

bmse001107,1,3,31
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 31
spectral transition char.chem shift val: 27.4303

bmse001107,1,3,32
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 32
spectral transition char.chem shift val: 25.8551

bmse001107,1,3,33
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 33
spectral transition char.chem shift val: 25.8419

bmse001107,1,3,34
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 34
spectral transition char.chem shift val: 25.1922

bmse001107,1,3,35
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 35
spectral transition char.chem shift val: 25.1363

bmse001107,1,3,36
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 36
spectral transition char.chem shift val: 22.9418

bmse001107,1,3,37
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 37
spectral transition char.chem shift val: 22.8269

bmse001107,1,3,38
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 38
spectral transition char.chem shift val: 14.2407

bmse001107,1,3,39
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 39
spectral transition char.chem shift val: 14.2061

bmse001107,1,3,40
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 3
spectral transition char.spectral transition id: 40
spectral transition char.chem shift val: 76.6847

bmse001107,1,4,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 1
spectral transition char.chem shift val: 76.7094

bmse001107,1,4,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 2
spectral transition char.chem shift val: 76.6776

bmse001107,1,4,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 3
spectral transition char.chem shift val: 74.5196

bmse001107,1,4,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 4
spectral transition char.chem shift val: 72.6059

bmse001107,1,4,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 5
spectral transition char.chem shift val: 71.8646

bmse001107,1,4,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 6
spectral transition char.chem shift val: 71.7920

bmse001107,1,4,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 7
spectral transition char.chem shift val: 71.4382

bmse001107,1,4,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 8
spectral transition char.chem shift val: 70.7885

bmse001107,1,4,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 9
spectral transition char.chem shift val: 70.7245

bmse001107,1,4,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 10
spectral transition char.chem shift val: 130.4505

bmse001107,1,4,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 11
spectral transition char.chem shift val: 130.1679

bmse001107,1,4,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 12
spectral transition char.chem shift val: 128.3493

bmse001107,1,4,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 4
spectral transition char.spectral transition id: 13
spectral transition char.chem shift val: 128.1285

bmse001107,1,5,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 1
spectral transition char.chem shift val: 130.1089

bmse001107,1,5,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 2
spectral transition char.chem shift val: 129.8281

bmse001107,1,5,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 3
spectral transition char.chem shift val: 128.0059

bmse001107,1,5,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 4
spectral transition char.chem shift val: 127.7894

bmse001107,1,5,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 5
spectral transition char.chem shift val: 76.3368

bmse001107,1,5,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 6
spectral transition char.chem shift val: 74.1757

bmse001107,1,5,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 7
spectral transition char.chem shift val: 72.2645

bmse001107,1,5,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 8
spectral transition char.chem shift val: 71.4502

bmse001107,1,5,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 9
spectral transition char.chem shift val: 71.0967

bmse001107,1,5,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 10
spectral transition char.chem shift val: 70.4492

bmse001107,1,5,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 11
spectral transition char.chem shift val: 70.3859

bmse001107,1,5,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 12
spectral transition char.chem shift val: 63.7482

bmse001107,1,5,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 13
spectral transition char.chem shift val: 62.7779

bmse001107,1,5,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 14
spectral transition char.chem shift val: 34.1538

bmse001107,1,5,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 15
spectral transition char.chem shift val: 34.0339

bmse001107,1,5,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 16
spectral transition char.chem shift val: 31.8719

bmse001107,1,5,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 17
spectral transition char.chem shift val: 31.4530

bmse001107,1,5,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 18
spectral transition char.chem shift val: 29.6635

bmse001107,1,5,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 19
spectral transition char.chem shift val: 29.6321

bmse001107,1,5,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 20
spectral transition char.chem shift val: 29.6097

bmse001107,1,5,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 21
spectral transition char.chem shift val: 29.5246

bmse001107,1,5,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 22
spectral transition char.chem shift val: 29.3282

bmse001107,1,5,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 23
spectral transition char.chem shift val: 29.3143

bmse001107,1,5,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 24
spectral transition char.chem shift val: 29.2799

bmse001107,1,5,25
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 25
spectral transition char.chem shift val: 29.1761

bmse001107,1,5,26
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 26
spectral transition char.chem shift val: 29.1479

bmse001107,1,5,27
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 27
spectral transition char.chem shift val: 29.0753

bmse001107,1,5,28
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 28
spectral transition char.chem shift val: 27.1457

bmse001107,1,5,29
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 29
spectral transition char.chem shift val: 27.1036

bmse001107,1,5,30
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 30
spectral transition char.chem shift val: 25.5314

bmse001107,1,5,31
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 31
spectral transition char.chem shift val: 24.8681

bmse001107,1,5,32
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 32
spectral transition char.chem shift val: 24.8113

bmse001107,1,5,33
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 33
spectral transition char.chem shift val: 22.6148

bmse001107,1,5,34
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 34
spectral transition char.chem shift val: 22.4993

bmse001107,1,5,35
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 35
spectral transition char.chem shift val: 13.9141

bmse001107,1,5,36
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 5
spectral transition char.spectral transition id: 36
spectral transition char.chem shift val: 13.8839

bmse001107,1,6,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 1
spectral transition char.chem shift val: 130.1383

bmse001107,2,6,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 1
spectral transition char.chem shift val: 5.3597

bmse001107,1,6,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 2
spectral transition char.chem shift val: 128.1233

bmse001107,2,6,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 2
spectral transition char.chem shift val: 5.3283

bmse001107,1,6,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 3
spectral transition char.chem shift val: 76.5106

bmse001107,2,6,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 3
spectral transition char.chem shift val: 3.9203

bmse001107,1,6,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 4
spectral transition char.chem shift val: 74.4387

bmse001107,2,6,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 4
spectral transition char.chem shift val: 3.2921

bmse001107,1,6,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 5
spectral transition char.chem shift val: 72.5149

bmse001107,2,6,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 5
spectral transition char.chem shift val: 3.6816

bmse001107,1,6,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 6
spectral transition char.chem shift val: 71.2570

bmse001107,2,6,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 6
spectral transition char.chem shift val: 3.4805

bmse001107,1,6,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 7
spectral transition char.chem shift val: 71.6639

bmse001107,2,6,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 7
spectral transition char.chem shift val: 3.8072

bmse001107,1,6,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 8
spectral transition char.chem shift val: 71.6639

bmse001107,2,6,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 8
spectral transition char.chem shift val: 4.1926

bmse001107,1,6,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 9
spectral transition char.chem shift val: 64.0055

bmse001107,2,6,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 9
spectral transition char.chem shift val: 4.0460

bmse001107,1,6,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 10
spectral transition char.chem shift val: 63.0435

bmse001107,2,6,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 10
spectral transition char.chem shift val: 4.1926

bmse001107,1,6,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 11
spectral transition char.chem shift val: 62.9325

bmse001107,2,6,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 11
spectral transition char.chem shift val: 4.4522

bmse001107,1,6,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 12
spectral transition char.chem shift val: 70.6157

bmse001107,2,6,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 12
spectral transition char.chem shift val: 5.2744

bmse001107,1,6,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 13
spectral transition char.chem shift val: 34.2020

bmse001107,2,6,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 13
spectral transition char.chem shift val: 2.3274

bmse001107,1,6,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 14
spectral transition char.chem shift val: 32.0644

bmse001107,2,6,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 14
spectral transition char.chem shift val: 1.2718

bmse001107,1,6,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 15
spectral transition char.chem shift val: 22.7016

bmse001107,2,6,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 15
spectral transition char.chem shift val: 1.3175

bmse001107,1,6,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 16
spectral transition char.chem shift val: 29.7130

bmse001107,2,6,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 16
spectral transition char.chem shift val: 1.2635

bmse001107,1,6,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 17
spectral transition char.chem shift val: 29.4137

bmse001107,2,6,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 17
spectral transition char.chem shift val: 1.3092

bmse001107,1,6,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 18
spectral transition char.chem shift val: 27.4471

bmse001107,2,6,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 18
spectral transition char.chem shift val: 2.0573

bmse001107,1,6,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 19
spectral transition char.chem shift val: 25.7798

bmse001107,2,6,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 19
spectral transition char.chem shift val: 2.7805

bmse001107,1,6,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 20
spectral transition char.chem shift val: 24.9247

bmse001107,2,6,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 20
spectral transition char.chem shift val: 1.6001

bmse001107,1,6,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 21
spectral transition char.chem shift val: 14.1511

bmse001107,2,6,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition char.entry id: bmse001107
spectral transition char.spectral dim id: 2
spectral transition char.spectral peak list id: 6
spectral transition char.spectral transition id: 21
spectral transition char.chem shift val: 0.8936

bmse001107,20.33,1,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 20.33
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 1

bmse001107,943.85,1,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 943.85
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 2

bmse001107,72.23,1,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 72.23
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 3

bmse001107,168.80,1,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 168.80
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 4

bmse001107,192.19,1,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 192.19
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 5

bmse001107,354.52,1,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 354.52
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 6

bmse001107,486.00,1,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 486.00
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 7

bmse001107,438.57,1,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 438.57
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 8

bmse001107,401.05,1,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 401.05
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 9

bmse001107,312.65,1,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 312.65
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 10

bmse001107,238.89,1,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 238.89
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 11

bmse001107,238.12,1,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 238.12
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 12

bmse001107,170.34,1,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 170.34
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 13

bmse001107,116.87,1,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 116.87
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 14

bmse001107,153.77,1,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 153.77
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 15

bmse001107,96.65,1,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 96.65
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 16

bmse001107,121.27,1,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 121.27
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 17

bmse001107,169.72,1,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 169.72
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 18

bmse001107,115.07,1,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 115.07
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 19

bmse001107,256.93,1,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 256.93
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 20

bmse001107,105.13,1,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 105.13
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 21

bmse001107,116.64,1,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 116.64
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 22

bmse001107,120.04,1,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 120.04
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 23

bmse001107,117.25,1,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 117.25
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 24

bmse001107,115.31,1,25
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 115.31
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 25

bmse001107,104.09,1,26
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 104.09
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 26

bmse001107,90.39,1,27
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 90.39
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 27

bmse001107,144.82,1,28
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 144.82
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 28

bmse001107,74.01,1,29
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 74.01
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 29

bmse001107,71.39,1,30
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 71.39
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 30

bmse001107,148.29,1,31
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 148.29
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 31

bmse001107,91.95,1,32
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 91.95
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 32

bmse001107,106.09,1,33
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 106.09
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 33

bmse001107,91.53,1,34
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 91.53
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 34

bmse001107,247.75,1,35
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 247.75
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 35

bmse001107,446.71,1,36
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 446.71
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 36

bmse001107,613.62,1,37
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 613.62
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 37

bmse001107,435.00,1,38
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 435.00
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 38

bmse001107,225.28,1,39
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 225.28
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 39

bmse001107,88.50,1,40
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 88.50
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 40

bmse001107,144.67,1,41
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 144.67
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 41

bmse001107,79.99,1,42
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 79.99
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 42

bmse001107,110.36,1,43
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 110.36
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 43

bmse001107,275.68,1,44
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 275.68
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 44

bmse001107,544.00,1,45
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 544.00
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 45

bmse001107,316.46,1,46
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 316.46
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 46

bmse001107,298.13,1,47
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 298.13
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 47

bmse001107,561.92,1,48
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 561.92
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 48

bmse001107,616.37,1,49
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 616.37
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 49

bmse001107,545.21,1,50
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 545.21
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 50

bmse001107,356.99,1,51
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 356.99
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 51

bmse001107,302.08,1,52
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 302.08
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 52

bmse001107,760.98,1,53
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 760.98
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 53

bmse001107,742.75,1,54
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 742.75
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 54

bmse001107,332.81,1,55
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 332.81
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 55

bmse001107,419.99,1,56
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 419.99
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 56

bmse001107,452.06,1,57
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 452.06
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 57

bmse001107,42.44,1,58
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 42.44
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 58

bmse001107,120.51,1,59
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 120.51
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 59

bmse001107,341.67,1,60
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 341.67
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 60

bmse001107,579.25,1,61
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 579.25
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 61

bmse001107,655.11,1,62
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 655.11
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 62

bmse001107,2146.11,1,63
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 2146.11
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 63

bmse001107,1646.83,1,64
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 1646.83
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 64

bmse001107,8766.04,1,65
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 8766.04
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 65

bmse001107,108.13,1,66
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 108.13
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 66

bmse001107,203.01,1,67
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 203.01
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 67

bmse001107,102.13,1,68
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 102.13
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 68

bmse001107,519.94,1,69
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 519.94
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 69

bmse001107,1578.52,1,70
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 1578.52
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 70

bmse001107,1522.12,1,71
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 1522.12
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 71

bmse001107,619.65,1,72
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 619.65
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 72

bmse001107,0.15,3,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.15
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 1

bmse001107,0.17,3,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.17
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 2

bmse001107,0.68,3,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.68
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 3

bmse001107,0.56,3,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.56
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 4

bmse001107,0.59,3,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.59
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 5

bmse001107,0.72,3,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.72
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 6

bmse001107,0.05,3,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.05
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 7

bmse001107,0.05,3,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.05
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 8

bmse001107,0.04,3,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.04
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 9

bmse001107,0.05,3,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.05
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 10

bmse001107,0.05,3,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.05
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 11

bmse001107,0.05,3,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.05
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 12

bmse001107,0.05,3,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.05
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 13

bmse001107,0.04,3,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.04
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 14

bmse001107,0.07,3,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.07
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 15

bmse001107,0.21,3,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.21
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 16

bmse001107,0.23,3,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.23
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 17

bmse001107,0.36,3,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.36
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 18

bmse001107,0.89,3,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.89
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 19

bmse001107,1.47,3,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 1.47
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 20

bmse001107,0.54,3,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.54
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 21

bmse001107,0.66,3,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.66
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 22

bmse001107,0.40,3,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.40
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 23

bmse001107,0.37,3,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.37
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 24

bmse001107,0.63,3,25
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.63
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 25

bmse001107,1.12,3,26
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 1.12
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 26

bmse001107,0.47,3,27
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.47
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 27

bmse001107,0.42,3,28
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.42
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 28

bmse001107,0.41,3,29
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.41
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 29

bmse001107,0.38,3,30
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.38
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 30

bmse001107,0.86,3,31
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.86
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 31

bmse001107,0.69,3,32
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.69
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 32

bmse001107,0.14,3,33
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.14
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 33

bmse001107,0.30,3,34
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.30
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 34

bmse001107,0.29,3,35
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.29
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 35

bmse001107,0.51,3,36
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.51
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 36

bmse001107,0.73,3,37
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.73
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 37

bmse001107,0.52,3,38
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.52
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 38

bmse001107,0.68,3,39
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.68
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 39

bmse001107,0.03,3,40
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 0.03
spectral transition general char.spectral peak list id: 3
spectral transition general char.spectral transition id: 40

bmse001107,1.28,4,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 1.28
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 1

bmse001107,1.24,4,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 1.24
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 2

bmse001107,2.09,4,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 2.09
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 3

bmse001107,2.23,4,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 2.23
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 4

bmse001107,1.76,4,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 1.76
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 5

bmse001107,2.49,4,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 2.49
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 6

bmse001107,2.24,4,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 2.24
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 7

bmse001107,2.94,4,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 2.94
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 8

bmse001107,3.08,4,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 3.08
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 9

bmse001107,11.53,4,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 11.53
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 10

bmse001107,10.54,4,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 10.54
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 11

bmse001107,15.00,4,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 15.00
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 12

bmse001107,14.65,4,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 14.65
spectral transition general char.spectral peak list id: 4
spectral transition general char.spectral transition id: 13

bmse001107,-356.47,5,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -356.47
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 1

bmse001107,-319.90,5,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -319.90
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 2

bmse001107,-452.45,5,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -452.45
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 3

bmse001107,-453.13,5,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -453.13
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 4

bmse001107,-42.02,5,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -42.02
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 5

bmse001107,-63.57,5,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -63.57
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 6

bmse001107,-70.49,5,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -70.49
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 7

bmse001107,-75.93,5,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -75.93
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 8

bmse001107,-67.86,5,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -67.86
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 9

bmse001107,-86.34,5,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -86.34
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 10

bmse001107,-85.72,5,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -85.72
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 11

bmse001107,75.69,5,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 75.69
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 12

bmse001107,136.29,5,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 136.29
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 13

bmse001107,289.42,5,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 289.42
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 14

bmse001107,280.62,5,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 280.62
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 15

bmse001107,369.24,5,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 369.24
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 16

bmse001107,342.50,5,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 342.50
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 17

bmse001107,810.56,5,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 810.56
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 18

bmse001107,503.83,5,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 503.83
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 19

bmse001107,467.28,5,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 467.28
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 20

bmse001107,269.91,5,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 269.91
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 21

bmse001107,291.13,5,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 291.13
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 22

bmse001107,324.08,5,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 324.08
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 23

bmse001107,562.62,5,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 562.62
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 24

bmse001107,309.38,5,25
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 309.38
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 25

bmse001107,356.18,5,26
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 356.18
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 26

bmse001107,359.26,5,27
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 359.26
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 27

bmse001107,593.07,5,28
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 593.07
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 28

bmse001107,403.79,5,29
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 403.79
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 29

bmse001107,377.15,5,30
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 377.15
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 30

bmse001107,370.82,5,31
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 370.82
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 31

bmse001107,420.40,5,32
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 420.40
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 32

bmse001107,495.46,5,33
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 495.46
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 33

bmse001107,539.63,5,34
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 539.63
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 34

bmse001107,-499.43,5,35
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -499.43
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 35

bmse001107,-283.07,5,36
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: -283.07
spectral transition general char.spectral peak list id: 5
spectral transition general char.spectral transition id: 36

bmse001107,79386.00,6,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 79386.00
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 1

bmse001107,55298.66,6,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 55298.66
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 2

bmse001107,23131.83,6,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 23131.83
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 3

bmse001107,19227.29,6,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 19227.29
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 4

bmse001107,25529.36,6,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 25529.36
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 5

bmse001107,27075.15,6,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 27075.15
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 6

bmse001107,23417.08,6,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 23417.08
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 7

bmse001107,36706.90,6,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 36706.90
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 8

bmse001107,49354.57,6,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 49354.57
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 9

bmse001107,43633.51,6,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 43633.51
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 10

bmse001107,45323.22,6,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 45323.22
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 11

bmse001107,57344.71,6,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 57344.71
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 12

bmse001107,130819.2,6,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 130819.2
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 13

bmse001107,53826.80,6,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 53826.80
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 14

bmse001107,60813.62,6,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 60813.62
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 15

bmse001107,656853.3,6,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 656853.3
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 16

bmse001107,316800.4,6,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 316800.4
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 17

bmse001107,164577.7,6,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 164577.7
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 18

bmse001107,88225.74,6,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 88225.74
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 19

bmse001107,134209.0,6,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 134209.0
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 20

bmse001107,150994.0,6,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001107
spectral transition general char.entry id: bmse001107
spectral transition general char.intensity val: 150994.0
spectral transition general char.spectral peak list id: 6
spectral transition general char.spectral transition id: 21

bmse001107,1,collection
type: task
of datablock: info:bmrb.metabolomics/bmse001107
task.entry id: bmse001107
task.software id: 1
task.task: collection

bmse001107,1,data analysis
type: task
of datablock: info:bmrb.metabolomics/bmse001107
task.entry id: bmse001107
task.software id: 1
task.task: data analysis

bmse001107,1,peak picking
type: task
of datablock: info:bmrb.metabolomics/bmse001107
task.entry id: bmse001107
task.software id: 1
task.task: peak picking

bmse001107,1,processing
type: task
of datablock: info:bmrb.metabolomics/bmse001107
task.entry id: bmse001107
task.software id: 1
task.task: processing

bmse001107,2,collection
type: task
of datablock: info:bmrb.metabolomics/bmse001107
task.entry id: bmse001107
task.software id: 2
task.task: collection

bmse001107,Bruker Biospin,1
type: vendor
of datablock: info:bmrb.metabolomics/bmse001107
vendor.entry id: bmse001107
vendor.name: Bruker Biospin
vendor.software id: 1
vendor.electronic address: http://www.bruker.com/products/mr/nmr/nmr-software/software/topspin/overview.html

bmse001107,NMRFAM,2
type: vendor
of datablock: info:bmrb.metabolomics/bmse001107
vendor.entry id: bmse001107
vendor.name: NMRFAM
vendor.software id: 2
vendor.electronic address: http://www.nmrfam.wisc.edu/software/nmrbot/