info:bmrb.metabolomics/bmse001028
type: datablock
datablock name: bmse001028
has assembly category: assemblyCategory
has atom nomenclature category: atom nomenclatureCategory
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 smiles category: chem comp smilesCategory
has chem comp systematic name category: chem comp systematic nameCategory
has chem shift ref category: chem shift refCategory
has chem shift reference category: chem shift referenceCategory
has citation category: citationCategory
has citation author category: citation authorCategory
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 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

bmse001028,1
type: assembly
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
assembly.entry id: bmse001028
assembly.id: 1
assembly.name: L-alpha-Phosphatidyl-DL-glycerol
assembly.non standard bonds: no
assembly.number of components: 1
assembly.organic ligands: 0
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: assembly
assembly.thiol state: not reported

bmse001028
referenced by assembly: bmse001028,1
referenced by chem comp: bmse001028,1
referenced by chem comp atom: P91,1,bmse001028
referenced by chem comp atom: O83,1,bmse001028
referenced by chem comp atom: O88,1,bmse001028
referenced by chem comp atom: O87,1,bmse001028
referenced by chem comp atom: O84,1,bmse001028
referenced by chem comp atom: C71,1,bmse001028
referenced by chem comp atom: C72,1,bmse001028
referenced by chem comp atom: C73,1,bmse001028
referenced by chem comp atom: C74,1,bmse001028
referenced by chem comp atom: C70,1,bmse001028
referenced by chem comp atom: O90,1,bmse001028
referenced by chem comp atom: O89,1,bmse001028
referenced by chem comp atom: C69,1,bmse001028
referenced by chem comp atom: O85,1,bmse001028
referenced by chem comp atom: O86,1,bmse001028
referenced by chem comp atom: C76,1,bmse001028
referenced by chem comp atom: C66,1,bmse001028
referenced by chem comp atom: C75,1,bmse001028
referenced by chem comp atom: C65,1,bmse001028
referenced by chem comp atom: C77,1,bmse001028
referenced by chem comp atom: C67,1,bmse001028
referenced by chem comp atom: C78,1,bmse001028
referenced by chem comp atom: C68,1,bmse001028
referenced by chem comp atom: O79,1,bmse001028
referenced by chem comp atom: O81,1,bmse001028
referenced by chem comp atom: O82,1,bmse001028
referenced by chem comp atom: O80,1,bmse001028
referenced by chem comp atom: C51,1,bmse001028
referenced by chem comp atom: C47,1,bmse001028
referenced by chem comp atom: C55,1,bmse001028
referenced by chem comp atom: C43,1,bmse001028
referenced by chem comp atom: C59,1,bmse001028
referenced by chem comp atom: C39,1,bmse001028
referenced by chem comp atom: C63,1,bmse001028
referenced by chem comp atom: C13,1,bmse001028
referenced by chem comp atom: C9,1,bmse001028
referenced by chem comp atom: C37,1,bmse001028
referenced by chem comp atom: C17,1,bmse001028
referenced by chem comp atom: C5,1,bmse001028
referenced by chem comp atom: C33,1,bmse001028
referenced by chem comp atom: C29,1,bmse001028
referenced by chem comp atom: C21,1,bmse001028
referenced by chem comp atom: C25,1,bmse001028
referenced by chem comp atom: C1,1,bmse001028
referenced by chem comp atom: H188,1,bmse001028
referenced by chem comp atom: H189,1,bmse001028
referenced by chem comp atom: H180,1,bmse001028
referenced by chem comp atom: H181,1,bmse001028
referenced by chem comp atom: H196,1,bmse001028
referenced by chem comp atom: H197,1,bmse001028
referenced by chem comp atom: H172,1,bmse001028
referenced by chem comp atom: H173,1,bmse001028
referenced by chem comp atom: H204,1,bmse001028
referenced by chem comp atom: H205,1,bmse001028
referenced by chem comp atom: H164,1,bmse001028
referenced by chem comp atom: H165,1,bmse001028
referenced by chem comp atom: H212,1,bmse001028
referenced by chem comp atom: H213,1,bmse001028
referenced by chem comp atom: H120,1,bmse001028
referenced by chem comp atom: H121,1,bmse001028
referenced by chem comp atom: H112,1,bmse001028
referenced by chem comp atom: H113,1,bmse001028
referenced by chem comp atom: H162,1,bmse001028
referenced by chem comp atom: H128,1,bmse001028
referenced by chem comp atom: H129,1,bmse001028
referenced by chem comp atom: H104,1,bmse001028
referenced by chem comp atom: H105,1,bmse001028
referenced by chem comp atom: H156,1,bmse001028
referenced by chem comp atom: H148,1,bmse001028
referenced by chem comp atom: H149,1,bmse001028
referenced by chem comp atom: H136,1,bmse001028
referenced by chem comp atom: H142,1,bmse001028
referenced by chem comp atom: H94,1,bmse001028
referenced by chem comp atom: H92,1,bmse001028
referenced by chem comp atom: H93,1,bmse001028
referenced by chem comp atom: C31,1,bmse001028
referenced by chem comp atom: C35,1,bmse001028
referenced by chem comp atom: C27,1,bmse001028

P91,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
atom nomenclature.atom id: P91
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: P1
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: P91
atom nomenclature.naming system: ALATIS

O83,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
atom nomenclature.atom id: O83
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: O2
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: O83
atom nomenclature.naming system: ALATIS

O88,1,bmse001028
type: atom nomenclature
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atom nomenclature.atom id: O88
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: O3
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: O88
atom nomenclature.naming system: ALATIS

O87,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
atom nomenclature.atom id: O87
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: O4
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: O87
atom nomenclature.naming system: ALATIS

O84,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
atom nomenclature.atom id: O84
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: O5
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atom nomenclature.naming system: ALATIS

C71,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
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atom nomenclature.atom name: C71
atom nomenclature.naming system: ALATIS

C72,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C73,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C74,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C70,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

O90,1,bmse001028
type: atom nomenclature
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atom nomenclature.atom id: O90
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atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: O11
atom nomenclature.naming system: BMRB
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atom nomenclature.naming system: ALATIS

O89,1,bmse001028
type: atom nomenclature
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atom nomenclature.atom id: O89
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: O12
atom nomenclature.naming system: BMRB
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atom nomenclature.naming system: ALATIS

C69,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
atom nomenclature.atom id: C69
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: C13
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atom nomenclature.naming system: ALATIS

O85,1,bmse001028
type: atom nomenclature
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atom nomenclature.atom id: O85
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atom nomenclature.entry id: bmse001028
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atom nomenclature.naming system: BMRB
atom nomenclature.atom name: O85
atom nomenclature.naming system: ALATIS

O86,1,bmse001028
type: atom nomenclature
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atom nomenclature.atom id: O86
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: O15
atom nomenclature.naming system: BMRB
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atom nomenclature.naming system: ALATIS

C76,1,bmse001028
type: atom nomenclature
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atom nomenclature.atom id: C76
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
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atom nomenclature.naming system: BMRB
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atom nomenclature.naming system: ALATIS

C66,1,bmse001028
type: atom nomenclature
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atom nomenclature.entry id: bmse001028
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atom nomenclature.naming system: ALATIS

C75,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
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atom nomenclature.entry id: bmse001028
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atom nomenclature.naming system: ALATIS

C65,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
atom nomenclature.atom id: C65
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
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atom nomenclature.atom name: C65
atom nomenclature.naming system: ALATIS

C77,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C67,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C78,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C68,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
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atom nomenclature.naming system: ALATIS

O79,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
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atom nomenclature.entry id: bmse001028
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atom nomenclature.naming system: ALATIS

O81,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
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atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
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atom nomenclature.naming system: ALATIS

O82,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
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atom nomenclature.naming system: ALATIS

O80,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C51,1,bmse001028
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse001028
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atom nomenclature.naming system: ALATIS

C47,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C55,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C43,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C59,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C39,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C63,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

C13,1,bmse001028
type: atom nomenclature
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C9,1,bmse001028
type: atom nomenclature
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C37,1,bmse001028
type: atom nomenclature
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C17,1,bmse001028
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C5,1,bmse001028
type: atom nomenclature
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C33,1,bmse001028
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C29,1,bmse001028
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C21,1,bmse001028
type: atom nomenclature
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C25,1,bmse001028
type: atom nomenclature
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C1,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

H188,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

H189,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

H180,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

H181,1,bmse001028
type: atom nomenclature
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atom nomenclature.naming system: ALATIS

H196,1,bmse001028
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atom nomenclature.naming system: ALATIS

H197,1,bmse001028
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H214,1,bmse001028
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H215,1,bmse001028
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H122,1,bmse001028
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H123,1,bmse001028
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H114,1,bmse001028
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atom nomenclature.comp id: 1
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atom nomenclature.atom name: H201
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H115,1,bmse001028
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H163,1,bmse001028
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H130,1,bmse001028
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H131,1,bmse001028
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H106,1,bmse001028
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H107,1,bmse001028
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atom nomenclature.entry id: bmse001028
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atom nomenclature.atom name: H107
atom nomenclature.naming system: ALATIS

H157,1,bmse001028
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atom nomenclature.atom name: H208
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atom nomenclature.atom name: H157
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H150,1,bmse001028
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atom nomenclature.atom name: H209
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atom nomenclature.atom name: H150
atom nomenclature.naming system: ALATIS

H151,1,bmse001028
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atom nomenclature.atom name: H210
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atom nomenclature.atom name: H151
atom nomenclature.naming system: ALATIS

H137,1,bmse001028
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atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: H211
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atom nomenclature.atom name: H137
atom nomenclature.naming system: ALATIS

H143,1,bmse001028
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atom nomenclature.atom id: H143
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: H212
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H143
atom nomenclature.naming system: ALATIS

H97,1,bmse001028
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atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: H213
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atom nomenclature.atom name: H97
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H95,1,bmse001028
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atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: H214
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atom nomenclature.atom name: H95
atom nomenclature.naming system: ALATIS

H96,1,bmse001028
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atom nomenclature.entry id: bmse001028
atom nomenclature.atom name: H215
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H96
atom nomenclature.naming system: ALATIS

H224,1,bmse001028
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atom nomenclature.entry id: bmse001028
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atom nomenclature.naming system: ALATIS

H225,1,bmse001028
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atom nomenclature.naming system: ALATIS

H228,1,bmse001028
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atom nomenclature.naming system: ALATIS

H229,1,bmse001028
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atom nomenclature.naming system: ALATIS

H230,1,bmse001028
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atom nomenclature.naming system: ALATIS

H218,1,bmse001028
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atom nomenclature.naming system: ALATIS

H219,1,bmse001028
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atom nomenclature.atom name: H231
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bmse001028,1
type: chem comp
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp.entry id: bmse001028
chem comp.id: 1
chem comp.aromatic: no
chem comp.bmrb code: bmse001028
chem comp.details: The long chain fatty acids for this molecule are not the only possibilities for the R groups. They were added here because NMR-STAR does not currently support generalized R-groups. (21 Feb. 2013)
chem comp.formula: C78 H143 O12 P
chem comp.formula mono iso wt 13c: 1381.293
chem comp.formula mono iso wt 13c 15n: 1381.293
chem comp.formula mono iso wt 15n: 1303.032
chem comp.formula mono iso wt nat: 1303.032
chem comp.formula weight: 1303.937
chem comp.image file format: png
chem comp.image file name: bmse001028.png
chem comp.inchi code: InChI=1S/C78H143O12P/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-77(81)89-73(69-85-75(79)65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)71-87-91(83,84)88-72-74(70-86-76(80)66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)90-78(82)68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,73-74H,5-20,23-24,27-32,35-36,39-72H2,1-4H3,(H,83,84)/b25-21-,26-22-,37-33-,38-34-/t73-,74-/m1/s1
chem comp.name: L-alpha-Phosphatidyl-DL-glycerol
chem comp.paramagnetic: no
chem comp.provenance: na
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_1
chem comp.struct file format: mol
chem comp.struct file name: bmse001028.mol
chem comp.topo file format: MDL
chem comp.topo file name: standards/L_alpha_phosphatidyl_DL_glycerol/lit/bmse001028.mol
chem comp.type: NON-POLYMER

P91,1,bmse001028
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chem comp atom.atom id: P91
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 0.4332
chem comp atom.drawing 2d coord y: 0.8318
chem comp atom.pdbx ordinal: 1
chem comp atom.type symbol: P

O83,1,bmse001028
type: chem comp atom
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reference to entry: bmse001028
chem comp atom.atom id: O83
chem comp atom.comp id: 1
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chem comp atom.drawing 2d coord x: 0.4332
chem comp atom.drawing 2d coord y: 0.0068
chem comp atom.pdbx ordinal: 2
chem comp atom.type symbol: O

O88,1,bmse001028
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reference to entry: bmse001028
chem comp atom.atom id: O88
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 1.2719
chem comp atom.drawing 2d coord y: 0.8502
chem comp atom.pdbx ordinal: 3
chem comp atom.type symbol: O

O87,1,bmse001028
type: chem comp atom
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reference to entry: bmse001028
chem comp atom.atom id: O87
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -0.4828
chem comp atom.drawing 2d coord y: 0.8409
chem comp atom.pdbx ordinal: 4
chem comp atom.type symbol: O

O84,1,bmse001028
type: chem comp atom
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reference to entry: bmse001028
chem comp atom.atom id: O84
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 0.4332
chem comp atom.drawing 2d coord y: 1.6568
chem comp atom.pdbx ordinal: 5
chem comp atom.type symbol: O

C71,1,bmse001028
type: chem comp atom
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reference to entry: bmse001028
chem comp atom.atom id: C71
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -1.1296
chem comp atom.drawing 2d coord y: 1.3634
chem comp atom.pdbx ordinal: 6
chem comp atom.type symbol: C

C72,1,bmse001028
type: chem comp atom
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reference to entry: bmse001028
chem comp atom.atom id: C72
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 1.9504
chem comp atom.drawing 2d coord y: 1.2902
chem comp atom.pdbx ordinal: 7
chem comp atom.type symbol: C

C73,1,bmse001028
type: chem comp atom
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reference to entry: bmse001028
chem comp atom.atom id: C73
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -1.8512
chem comp atom.drawing 2d coord y: 0.8409
chem comp atom.pdbx ordinal: 8
chem comp atom.type symbol: C

C74,1,bmse001028
type: chem comp atom
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reference to entry: bmse001028
chem comp atom.atom id: C74
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 2.5895
chem comp atom.drawing 2d coord y: 0.8409
chem comp atom.pdbx ordinal: 9
chem comp atom.type symbol: C

C70,1,bmse001028
type: chem comp atom
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reference to entry: bmse001028
chem comp atom.atom id: C70
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 3.3039
chem comp atom.drawing 2d coord y: 1.2534
chem comp atom.pdbx ordinal: 10
chem comp atom.type symbol: C

O90,1,bmse001028
type: chem comp atom
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reference to entry: bmse001028
chem comp atom.atom id: O90
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 2.5895
chem comp atom.drawing 2d coord y: 0.0159
chem comp atom.pdbx ordinal: 11
chem comp atom.type symbol: O

O89,1,bmse001028
type: chem comp atom
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reference to entry: bmse001028
chem comp atom.atom id: O89
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -1.8512
chem comp atom.drawing 2d coord y: 0.0159
chem comp atom.pdbx ordinal: 12
chem comp atom.type symbol: O

C69,1,bmse001028
type: chem comp atom
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reference to entry: bmse001028
chem comp atom.atom id: C69
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -2.5657
chem comp atom.drawing 2d coord y: 1.2534
chem comp atom.pdbx ordinal: 13
chem comp atom.type symbol: C

O85,1,bmse001028
type: chem comp atom
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reference to entry: bmse001028
chem comp atom.atom id: O85
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -3.2804
chem comp atom.drawing 2d coord y: 0.8409
chem comp atom.pdbx ordinal: 14
chem comp atom.type symbol: O

O86,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: O86
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 4.0184
chem comp atom.drawing 2d coord y: 0.8409
chem comp atom.pdbx ordinal: 15
chem comp atom.type symbol: O

C76,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C76
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 4.7687
chem comp atom.drawing 2d coord y: 1.4468
chem comp atom.pdbx ordinal: 16
chem comp atom.type symbol: C

C66,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C66
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 5.7221
chem comp atom.drawing 2d coord y: 1.3001
chem comp atom.pdbx ordinal: 17
chem comp atom.type symbol: C

C75,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C75
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -4.1229
chem comp atom.drawing 2d coord y: 1.6851
chem comp atom.pdbx ordinal: 18
chem comp atom.type symbol: C

C65,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C65
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -4.8013
chem comp atom.drawing 2d coord y: 1.0068
chem comp atom.pdbx ordinal: 19
chem comp atom.type symbol: C

C77,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C77
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -2.5814
chem comp atom.drawing 2d coord y: -0.5124
chem comp atom.pdbx ordinal: 20
chem comp atom.type symbol: C

C67,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C67
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -3.2958
chem comp atom.drawing 2d coord y: -0.0999
chem comp atom.pdbx ordinal: 21
chem comp atom.type symbol: C

C78,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C78
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 3.2827
chem comp atom.drawing 2d coord y: -0.4390
chem comp atom.pdbx ordinal: 22
chem comp atom.type symbol: C

C68,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C68
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 3.0692
chem comp atom.drawing 2d coord y: -1.2359
chem comp atom.pdbx ordinal: 23
chem comp atom.type symbol: C

O79,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: O79
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -4.1111
chem comp atom.drawing 2d coord y: 2.4820
chem comp atom.pdbx ordinal: 24
chem comp atom.type symbol: O

O81,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: O81
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -2.5814
chem comp atom.drawing 2d coord y: -1.3374
chem comp atom.pdbx ordinal: 25
chem comp atom.type symbol: O

O82,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: O82
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 3.9972
chem comp atom.drawing 2d coord y: -0.0265
chem comp atom.pdbx ordinal: 26
chem comp atom.type symbol: O

O80,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: O80
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 4.5552
chem comp atom.drawing 2d coord y: 2.2437
chem comp atom.pdbx ordinal: 27
chem comp atom.type symbol: O

C51,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C51
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -5.1702
chem comp atom.drawing 2d coord y: -3.8557
chem comp atom.pdbx ordinal: 28
chem comp atom.type symbol: C

C47,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C47
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -6.3225
chem comp atom.drawing 2d coord y: -4.5210
chem comp atom.pdbx ordinal: 29
chem comp atom.type symbol: C

C55,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C55
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -5.1702
chem comp atom.drawing 2d coord y: -2.5251
chem comp atom.pdbx ordinal: 30
chem comp atom.type symbol: C

C43,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C43
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -6.3225
chem comp atom.drawing 2d coord y: -5.8516
chem comp atom.pdbx ordinal: 31
chem comp atom.type symbol: C

C59,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C59
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -4.0179
chem comp atom.drawing 2d coord y: -1.8598
chem comp atom.pdbx ordinal: 32
chem comp atom.type symbol: C

C39,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C39
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -7.4748
chem comp atom.drawing 2d coord y: -6.5169
chem comp atom.pdbx ordinal: 33
chem comp atom.type symbol: C

C63,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C63
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -4.0179
chem comp atom.drawing 2d coord y: -0.5293
chem comp atom.pdbx ordinal: 34
chem comp atom.type symbol: C

C13,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C13
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -13.2365
chem comp atom.drawing 2d coord y: -5.8516
chem comp atom.pdbx ordinal: 35
chem comp atom.type symbol: C

C9,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C9
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -13.2365
chem comp atom.drawing 2d coord y: -4.5210
chem comp atom.pdbx ordinal: 36
chem comp atom.type symbol: C

C37,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C37
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -7.4748
chem comp atom.drawing 2d coord y: -7.8475
chem comp atom.pdbx ordinal: 37
chem comp atom.type symbol: C

C17,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C17
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -12.0841
chem comp atom.drawing 2d coord y: -6.5169
chem comp atom.pdbx ordinal: 38
chem comp atom.type symbol: C

C5,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C5
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -14.3888
chem comp atom.drawing 2d coord y: -3.8557
chem comp atom.pdbx ordinal: 39
chem comp atom.type symbol: C

C33,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C33
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -8.6272
chem comp atom.drawing 2d coord y: -8.5128
chem comp atom.pdbx ordinal: 40
chem comp atom.type symbol: C

C29,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C29
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -9.7795
chem comp atom.drawing 2d coord y: -7.8475
chem comp atom.pdbx ordinal: 41
chem comp atom.type symbol: C

C21,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C21
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -12.0841
chem comp atom.drawing 2d coord y: -7.8475
chem comp atom.pdbx ordinal: 42
chem comp atom.type symbol: C

C25,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C25
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -10.9318
chem comp atom.drawing 2d coord y: -8.5128
chem comp atom.pdbx ordinal: 43
chem comp atom.type symbol: C

C1,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C1
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -14.3888
chem comp atom.drawing 2d coord y: -2.5251
chem comp atom.pdbx ordinal: 44
chem comp atom.type symbol: C

H188,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H188
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -4.8880
chem comp atom.drawing 2d coord y: -4.6309
chem comp atom.pdbx ordinal: 45
chem comp atom.type symbol: H

H189,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H189
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -4.3577
chem comp atom.drawing 2d coord y: -3.7124
chem comp atom.pdbx ordinal: 46
chem comp atom.type symbol: H

H180,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H180
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -6.6047
chem comp atom.drawing 2d coord y: -3.7458
chem comp atom.pdbx ordinal: 47
chem comp atom.type symbol: H

H181,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H181
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -7.1349
chem comp atom.drawing 2d coord y: -4.6643
chem comp atom.pdbx ordinal: 48
chem comp atom.type symbol: H

H196,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H196
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -5.4523
chem comp atom.drawing 2d coord y: -1.7499
chem comp atom.pdbx ordinal: 49
chem comp atom.type symbol: H

H197,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H197
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -5.9826
chem comp atom.drawing 2d coord y: -2.6684
chem comp atom.pdbx ordinal: 50
chem comp atom.type symbol: H

H172,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H172
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -6.0404
chem comp atom.drawing 2d coord y: -6.6268
chem comp atom.pdbx ordinal: 51
chem comp atom.type symbol: H

H173,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H173
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -5.5100
chem comp atom.drawing 2d coord y: -5.7083
chem comp atom.pdbx ordinal: 52
chem comp atom.type symbol: H

H204,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H204
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -3.7357
chem comp atom.drawing 2d coord y: -2.6350
chem comp atom.pdbx ordinal: 53
chem comp atom.type symbol: H

H205,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H205
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -3.2210
chem comp atom.drawing 2d coord y: -1.6463
chem comp atom.pdbx ordinal: 54
chem comp atom.type symbol: H

H164,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H164
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -7.7570
chem comp atom.drawing 2d coord y: -5.7417
chem comp atom.pdbx ordinal: 55
chem comp atom.type symbol: H

H165,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H165
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -8.2872
chem comp atom.drawing 2d coord y: -6.6602
chem comp atom.pdbx ordinal: 56
chem comp atom.type symbol: H

H212,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H212
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -4.3000
chem comp atom.drawing 2d coord y: 0.2459
chem comp atom.pdbx ordinal: 57
chem comp atom.type symbol: H

H213,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H213
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -4.8302
chem comp atom.drawing 2d coord y: -0.6726
chem comp atom.pdbx ordinal: 58
chem comp atom.type symbol: H

H120,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H120
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -14.0489
chem comp atom.drawing 2d coord y: -5.7083
chem comp atom.pdbx ordinal: 59
chem comp atom.type symbol: H

H121,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H121
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -13.5186
chem comp atom.drawing 2d coord y: -6.6268
chem comp atom.pdbx ordinal: 60
chem comp atom.type symbol: H

H112,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H112
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -12.4240
chem comp atom.drawing 2d coord y: -4.6643
chem comp atom.pdbx ordinal: 61
chem comp atom.type symbol: H

H113,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H113
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -12.9543
chem comp atom.drawing 2d coord y: -3.7458
chem comp atom.pdbx ordinal: 62
chem comp atom.type symbol: H

H162,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H162
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -6.7604
chem comp atom.drawing 2d coord y: -8.2600
chem comp atom.pdbx ordinal: 63
chem comp atom.type symbol: H

H128,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H128
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -11.2717
chem comp atom.drawing 2d coord y: -6.6602
chem comp atom.pdbx ordinal: 64
chem comp atom.type symbol: H

H129,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H129
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -11.8020
chem comp atom.drawing 2d coord y: -5.7417
chem comp atom.pdbx ordinal: 65
chem comp atom.type symbol: H

H104,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H104
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -15.2012
chem comp atom.drawing 2d coord y: -3.7124
chem comp atom.pdbx ordinal: 66
chem comp atom.type symbol: H

H105,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H105
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -14.6709
chem comp atom.drawing 2d coord y: -4.6309
chem comp atom.pdbx ordinal: 67
chem comp atom.type symbol: H

H156,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H156
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -8.6272
chem comp atom.drawing 2d coord y: -9.3378
chem comp atom.pdbx ordinal: 68
chem comp atom.type symbol: H

H148,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H148
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -9.2492
chem comp atom.drawing 2d coord y: -7.2156
chem comp atom.pdbx ordinal: 69
chem comp atom.type symbol: H

H149,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H149
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -10.3097
chem comp atom.drawing 2d coord y: -7.2156
chem comp atom.pdbx ordinal: 70
chem comp atom.type symbol: H

H136,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H136
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -12.7986
chem comp atom.drawing 2d coord y: -8.2600
chem comp atom.pdbx ordinal: 71
chem comp atom.type symbol: H

H142,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H142
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -10.9318
chem comp atom.drawing 2d coord y: -9.3378
chem comp atom.pdbx ordinal: 72
chem comp atom.type symbol: H

H94,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H94
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -13.5638
chem comp atom.drawing 2d coord y: -2.5251
chem comp atom.pdbx ordinal: 73
chem comp atom.type symbol: H

H92,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H92
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -14.3888
chem comp atom.drawing 2d coord y: -1.7002
chem comp atom.pdbx ordinal: 74
chem comp atom.type symbol: H

H93,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H93
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -15.2137
chem comp atom.drawing 2d coord y: -2.5251
chem comp atom.pdbx ordinal: 75
chem comp atom.type symbol: H

C31,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C31
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -10.6129
chem comp atom.drawing 2d coord y: 4.9576
chem comp atom.pdbx ordinal: 76
chem comp atom.type symbol: C

C35,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C35
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -11.1904
chem comp atom.drawing 2d coord y: 4.1601
chem comp atom.pdbx ordinal: 77
chem comp atom.type symbol: C

C27,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C27
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -11.1342
chem comp atom.drawing 2d coord y: 5.9491
chem comp atom.pdbx ordinal: 78
chem comp atom.type symbol: C

C41,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C41
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -10.2554
chem comp atom.drawing 2d coord y: 3.3626
chem comp atom.pdbx ordinal: 79
chem comp atom.type symbol: C

C45,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C45
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -9.8154
chem comp atom.drawing 2d coord y: 2.2901
chem comp atom.pdbx ordinal: 80
chem comp atom.type symbol: C

C49,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C49
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -8.5046
chem comp atom.drawing 2d coord y: 2.7301
chem comp atom.pdbx ordinal: 81
chem comp atom.type symbol: C

C53,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C53
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -7.6979
chem comp atom.drawing 2d coord y: 1.9601
chem comp atom.pdbx ordinal: 82
chem comp atom.type symbol: C

C57,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C57
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -6.2679
chem comp atom.drawing 2d coord y: 2.3451
chem comp atom.pdbx ordinal: 83
chem comp atom.type symbol: C

C61,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C61
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -5.9196
chem comp atom.drawing 2d coord y: 1.4284
chem comp atom.pdbx ordinal: 84
chem comp atom.type symbol: C

H152,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H152
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -9.8370
chem comp atom.drawing 2d coord y: 4.2665
chem comp atom.pdbx ordinal: 85
chem comp atom.type symbol: H

H153,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H153
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -9.8370
chem comp atom.drawing 2d coord y: 5.3271
chem comp atom.pdbx ordinal: 86
chem comp atom.type symbol: H

H158,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H158
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -11.9496
chem comp atom.drawing 2d coord y: 4.4315
chem comp atom.pdbx ordinal: 87
chem comp atom.type symbol: H

H159,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H159
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -11.6029
chem comp atom.drawing 2d coord y: 3.4456
chem comp atom.pdbx ordinal: 88
chem comp atom.type symbol: H

H144,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H144
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -11.7663
chem comp atom.drawing 2d coord y: 6.4794
chem comp atom.pdbx ordinal: 89
chem comp atom.type symbol: H

H145,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H145
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -11.7663
chem comp atom.drawing 2d coord y: 5.4189
chem comp atom.pdbx ordinal: 90
chem comp atom.type symbol: H

H168,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H168
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -11.0588
chem comp atom.drawing 2d coord y: 2.4767
chem comp atom.pdbx ordinal: 91
chem comp atom.type symbol: H

H169,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H169
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -9.6510
chem comp atom.drawing 2d coord y: 3.7201
chem comp atom.pdbx ordinal: 92
chem comp atom.type symbol: H

H176,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H176
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -10.3812
chem comp atom.drawing 2d coord y: 1.4488
chem comp atom.pdbx ordinal: 93
chem comp atom.type symbol: H

H177,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H177
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -9.3207
chem comp atom.drawing 2d coord y: 1.4488
chem comp atom.pdbx ordinal: 94
chem comp atom.type symbol: H

H184,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H184
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -7.9212
chem comp atom.drawing 2d coord y: 3.3135
chem comp atom.pdbx ordinal: 95
chem comp atom.type symbol: H

H185,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H185
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -8.7181
chem comp atom.drawing 2d coord y: 3.5270
chem comp atom.pdbx ordinal: 96
chem comp atom.type symbol: H

H192,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H192
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -8.2813
chem comp atom.drawing 2d coord y: 1.3767
chem comp atom.pdbx ordinal: 97
chem comp atom.type symbol: H

H193,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H193
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -7.1146
chem comp atom.drawing 2d coord y: 1.3767
chem comp atom.pdbx ordinal: 98
chem comp atom.type symbol: H

H200,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H200
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -5.2968
chem comp atom.drawing 2d coord y: 2.6659
chem comp atom.pdbx ordinal: 99
chem comp atom.type symbol: H

H201,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H201
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -6.4815
chem comp atom.drawing 2d coord y: 3.1420
chem comp atom.pdbx ordinal: 100
chem comp atom.type symbol: H

H208,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H208
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -5.9746
chem comp atom.drawing 2d coord y: 0.6951
chem comp atom.pdbx ordinal: 101
chem comp atom.type symbol: H

H209,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H209
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -6.7165
chem comp atom.drawing 2d coord y: 1.2149
chem comp atom.pdbx ordinal: 102
chem comp atom.type symbol: H

H100,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H100
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -5.1466
chem comp atom.drawing 2d coord y: 8.5810
chem comp atom.pdbx ordinal: 103
chem comp atom.type symbol: H

H98,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H98
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -4.3215
chem comp atom.drawing 2d coord y: 9.4060
chem comp atom.pdbx ordinal: 104
chem comp atom.type symbol: H

H99,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H99
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -5.1465
chem comp atom.drawing 2d coord y: 10.2309
chem comp atom.pdbx ordinal: 105
chem comp atom.type symbol: H

H108,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H108
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -6.3338
chem comp atom.drawing 2d coord y: 10.2184
chem comp atom.pdbx ordinal: 106
chem comp atom.type symbol: H

H109,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H109
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -7.2522
chem comp atom.drawing 2d coord y: 9.6881
chem comp atom.pdbx ordinal: 107
chem comp atom.type symbol: H

H116,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H116
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -7.2856
chem comp atom.drawing 2d coord y: 7.4412
chem comp atom.pdbx ordinal: 108
chem comp atom.type symbol: H

H117,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H117
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -6.3672
chem comp atom.drawing 2d coord y: 7.9714
chem comp atom.pdbx ordinal: 109
chem comp atom.type symbol: H

H124,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H124
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -8.3297
chem comp atom.drawing 2d coord y: 9.0661
chem comp atom.pdbx ordinal: 110
chem comp atom.type symbol: H

H125,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H125
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -9.2482
chem comp atom.drawing 2d coord y: 8.5358
chem comp atom.pdbx ordinal: 111
chem comp atom.type symbol: H

H132,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H132
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -9.2816
chem comp atom.drawing 2d coord y: 6.2889
chem comp atom.pdbx ordinal: 112
chem comp atom.type symbol: H

H133,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H133
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -8.3630
chem comp atom.drawing 2d coord y: 6.8192
chem comp atom.pdbx ordinal: 113
chem comp atom.type symbol: H

H138,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H138
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -10.3257
chem comp atom.drawing 2d coord y: 7.9138
chem comp atom.pdbx ordinal: 114
chem comp atom.type symbol: H

H139,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H139
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -11.2441
chem comp atom.drawing 2d coord y: 7.3836
chem comp atom.pdbx ordinal: 115
chem comp atom.type symbol: H

C3,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C3
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -5.1465
chem comp atom.drawing 2d coord y: 9.4060
chem comp atom.pdbx ordinal: 116
chem comp atom.type symbol: C

C7,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C7
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -6.4771
chem comp atom.drawing 2d coord y: 9.4060
chem comp atom.pdbx ordinal: 117
chem comp atom.type symbol: C

C11,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C11
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -7.1424
chem comp atom.drawing 2d coord y: 8.2537
chem comp atom.pdbx ordinal: 118
chem comp atom.type symbol: C

C15,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C15
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -8.4730
chem comp atom.drawing 2d coord y: 8.2537
chem comp atom.pdbx ordinal: 119
chem comp atom.type symbol: C

C19,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C19
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -9.1384
chem comp atom.drawing 2d coord y: 7.1014
chem comp atom.pdbx ordinal: 120
chem comp atom.type symbol: C

C23,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C23
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -10.4689
chem comp atom.drawing 2d coord y: 7.1014
chem comp atom.pdbx ordinal: 121
chem comp atom.type symbol: C

C32,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C32
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 11.2016
chem comp atom.drawing 2d coord y: 5.0309
chem comp atom.pdbx ordinal: 122
chem comp atom.type symbol: C

C36,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C36
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 11.7791
chem comp atom.drawing 2d coord y: 4.2334
chem comp atom.pdbx ordinal: 123
chem comp atom.type symbol: C

C28,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C28
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 11.7229
chem comp atom.drawing 2d coord y: 6.0225
chem comp atom.pdbx ordinal: 124
chem comp atom.type symbol: C

C42,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C42
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 10.8441
chem comp atom.drawing 2d coord y: 3.4359
chem comp atom.pdbx ordinal: 125
chem comp atom.type symbol: C

C46,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C46
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 10.4041
chem comp atom.drawing 2d coord y: 2.3634
chem comp atom.pdbx ordinal: 126
chem comp atom.type symbol: C

C50,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C50
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 9.2873
chem comp atom.drawing 2d coord y: 2.8195
chem comp atom.pdbx ordinal: 127
chem comp atom.type symbol: C

C54,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C54
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 8.1349
chem comp atom.drawing 2d coord y: 2.1542
chem comp atom.pdbx ordinal: 128
chem comp atom.type symbol: C

C58,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C58
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 6.9826
chem comp atom.drawing 2d coord y: 2.8195
chem comp atom.pdbx ordinal: 129
chem comp atom.type symbol: C

C62,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C62
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 6.0154
chem comp atom.drawing 2d coord y: 2.2534
chem comp atom.pdbx ordinal: 130
chem comp atom.type symbol: C

H154,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H154
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 10.4257
chem comp atom.drawing 2d coord y: 4.3398
chem comp atom.pdbx ordinal: 131
chem comp atom.type symbol: H

H155,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H155
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 10.4257
chem comp atom.drawing 2d coord y: 5.4004
chem comp atom.pdbx ordinal: 132
chem comp atom.type symbol: H

H160,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H160
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 12.3549
chem comp atom.drawing 2d coord y: 4.2481
chem comp atom.pdbx ordinal: 133
chem comp atom.type symbol: H

H161,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H161
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 12.3549
chem comp atom.drawing 2d coord y: 3.1875
chem comp atom.pdbx ordinal: 134
chem comp atom.type symbol: H

H146,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H146
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 12.3549
chem comp atom.drawing 2d coord y: 6.5527
chem comp atom.pdbx ordinal: 135
chem comp atom.type symbol: H

H147,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H147
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 12.3549
chem comp atom.drawing 2d coord y: 5.4922
chem comp atom.pdbx ordinal: 136
chem comp atom.type symbol: H

H170,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H170
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 11.6474
chem comp atom.drawing 2d coord y: 2.5501
chem comp atom.pdbx ordinal: 137
chem comp atom.type symbol: H

H171,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H171
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 10.2396
chem comp atom.drawing 2d coord y: 3.7934
chem comp atom.pdbx ordinal: 138
chem comp atom.type symbol: H

H178,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H178
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 10.9698
chem comp atom.drawing 2d coord y: 1.5222
chem comp atom.pdbx ordinal: 139
chem comp atom.type symbol: H

H179,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H179
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 9.9094
chem comp atom.drawing 2d coord y: 1.5222
chem comp atom.pdbx ordinal: 140
chem comp atom.type symbol: H

H186,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H186
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 8.7569
chem comp atom.drawing 2d coord y: 3.4514
chem comp atom.pdbx ordinal: 141
chem comp atom.type symbol: H

H187,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H187
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 9.8175
chem comp atom.drawing 2d coord y: 3.4514
chem comp atom.pdbx ordinal: 142
chem comp atom.type symbol: H

H194,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H194
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 8.6652
chem comp atom.drawing 2d coord y: 1.5222
chem comp atom.pdbx ordinal: 143
chem comp atom.type symbol: H

H195,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H195
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 7.6046
chem comp atom.drawing 2d coord y: 1.5222
chem comp atom.pdbx ordinal: 144
chem comp atom.type symbol: H

H202,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H202
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 6.4523
chem comp atom.drawing 2d coord y: 3.4514
chem comp atom.pdbx ordinal: 145
chem comp atom.type symbol: H

H203,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H203
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 7.5128
chem comp atom.drawing 2d coord y: 3.4514
chem comp atom.pdbx ordinal: 146
chem comp atom.type symbol: H

H210,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H210
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 6.9132
chem comp atom.drawing 2d coord y: 1.6576
chem comp atom.pdbx ordinal: 147
chem comp atom.type symbol: H

H211,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H211
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 5.6154
chem comp atom.drawing 2d coord y: 2.6535
chem comp atom.pdbx ordinal: 148
chem comp atom.type symbol: H

H101,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H101
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 5.7352
chem comp atom.drawing 2d coord y: 8.6544
chem comp atom.pdbx ordinal: 149
chem comp atom.type symbol: H

H102,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H102
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 4.9101
chem comp atom.drawing 2d coord y: 9.4793
chem comp atom.pdbx ordinal: 150
chem comp atom.type symbol: H

H103,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H103
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 5.7351
chem comp atom.drawing 2d coord y: 10.3042
chem comp atom.pdbx ordinal: 151
chem comp atom.type symbol: H

H110,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H110
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 6.9224
chem comp atom.drawing 2d coord y: 10.2917
chem comp atom.pdbx ordinal: 152
chem comp atom.type symbol: H

H111,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H111
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 7.8409
chem comp atom.drawing 2d coord y: 9.7615
chem comp atom.pdbx ordinal: 153
chem comp atom.type symbol: H

H118,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H118
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 7.8742
chem comp atom.drawing 2d coord y: 7.5146
chem comp atom.pdbx ordinal: 154
chem comp atom.type symbol: H

H119,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H119
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 6.9558
chem comp atom.drawing 2d coord y: 8.0448
chem comp atom.pdbx ordinal: 155
chem comp atom.type symbol: H

H126,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H126
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 8.9183
chem comp atom.drawing 2d coord y: 9.1394
chem comp atom.pdbx ordinal: 156
chem comp atom.type symbol: H

H127,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H127
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 9.8368
chem comp atom.drawing 2d coord y: 8.6092
chem comp atom.pdbx ordinal: 157
chem comp atom.type symbol: H

H134,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H134
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 9.8702
chem comp atom.drawing 2d coord y: 6.3622
chem comp atom.pdbx ordinal: 158
chem comp atom.type symbol: H

H135,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H135
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 8.9517
chem comp atom.drawing 2d coord y: 6.8925
chem comp atom.pdbx ordinal: 159
chem comp atom.type symbol: H

H140,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H140
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 10.9143
chem comp atom.drawing 2d coord y: 7.9871
chem comp atom.pdbx ordinal: 160
chem comp atom.type symbol: H

H141,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H141
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 11.8327
chem comp atom.drawing 2d coord y: 7.4569
chem comp atom.pdbx ordinal: 161
chem comp atom.type symbol: H

C4,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C4
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 5.7351
chem comp atom.drawing 2d coord y: 9.4793
chem comp atom.pdbx ordinal: 162
chem comp atom.type symbol: C

C8,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C8
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 7.0657
chem comp atom.drawing 2d coord y: 9.4793
chem comp atom.pdbx ordinal: 163
chem comp atom.type symbol: C

C12,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C12
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 7.7310
chem comp atom.drawing 2d coord y: 8.3270
chem comp atom.pdbx ordinal: 164
chem comp atom.type symbol: C

C16,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C16
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 9.0616
chem comp atom.drawing 2d coord y: 8.3271
chem comp atom.pdbx ordinal: 165
chem comp atom.type symbol: C

C20,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C20
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 9.7270
chem comp atom.drawing 2d coord y: 7.1747
chem comp atom.pdbx ordinal: 166
chem comp atom.type symbol: C

C24,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C24
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 11.0576
chem comp atom.drawing 2d coord y: 7.1748
chem comp atom.pdbx ordinal: 167
chem comp atom.type symbol: C

C52,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C52
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 5.1702
chem comp atom.drawing 2d coord y: -4.8222
chem comp atom.pdbx ordinal: 168
chem comp atom.type symbol: C

C48,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C48
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 6.3225
chem comp atom.drawing 2d coord y: -5.4875
chem comp atom.pdbx ordinal: 169
chem comp atom.type symbol: C

C56,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C56
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 5.1702
chem comp atom.drawing 2d coord y: -3.4916
chem comp atom.pdbx ordinal: 170
chem comp atom.type symbol: C

C44,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C44
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 6.3225
chem comp atom.drawing 2d coord y: -6.8181
chem comp atom.pdbx ordinal: 171
chem comp atom.type symbol: C

C60,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C60
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 4.0179
chem comp atom.drawing 2d coord y: -2.8263
chem comp atom.pdbx ordinal: 172
chem comp atom.type symbol: C

C40,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C40
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 7.4748
chem comp atom.drawing 2d coord y: -7.4834
chem comp atom.pdbx ordinal: 173
chem comp atom.type symbol: C

C64,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C64
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 4.0179
chem comp atom.drawing 2d coord y: -1.4957
chem comp atom.pdbx ordinal: 174
chem comp atom.type symbol: C

C14,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C14
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 13.2365
chem comp atom.drawing 2d coord y: -6.8181
chem comp atom.pdbx ordinal: 175
chem comp atom.type symbol: C

C10,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C10
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 13.2365
chem comp atom.drawing 2d coord y: -5.4875
chem comp atom.pdbx ordinal: 176
chem comp atom.type symbol: C

C38,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C38
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 7.4748
chem comp atom.drawing 2d coord y: -8.8140
chem comp atom.pdbx ordinal: 177
chem comp atom.type symbol: C

C18,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C18
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 12.0841
chem comp atom.drawing 2d coord y: -7.4834
chem comp atom.pdbx ordinal: 178
chem comp atom.type symbol: C

C6,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C6
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 14.3888
chem comp atom.drawing 2d coord y: -4.8222
chem comp atom.pdbx ordinal: 179
chem comp atom.type symbol: C

C34,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C34
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 8.6272
chem comp atom.drawing 2d coord y: -9.4792
chem comp atom.pdbx ordinal: 180
chem comp atom.type symbol: C

C30,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C30
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 9.7795
chem comp atom.drawing 2d coord y: -8.8140
chem comp atom.pdbx ordinal: 181
chem comp atom.type symbol: C

C22,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C22
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 12.0841
chem comp atom.drawing 2d coord y: -8.8140
chem comp atom.pdbx ordinal: 182
chem comp atom.type symbol: C

C26,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C26
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 10.9318
chem comp atom.drawing 2d coord y: -9.4792
chem comp atom.pdbx ordinal: 183
chem comp atom.type symbol: C

C2,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: C2
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 14.3888
chem comp atom.drawing 2d coord y: -3.4916
chem comp atom.pdbx ordinal: 184
chem comp atom.type symbol: C

H190,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H190
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 4.8880
chem comp atom.drawing 2d coord y: -5.5974
chem comp atom.pdbx ordinal: 185
chem comp atom.type symbol: H

H191,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H191
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 4.3577
chem comp atom.drawing 2d coord y: -4.6789
chem comp atom.pdbx ordinal: 186
chem comp atom.type symbol: H

H182,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H182
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 6.6047
chem comp atom.drawing 2d coord y: -4.7123
chem comp atom.pdbx ordinal: 187
chem comp atom.type symbol: H

H183,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H183
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 7.1349
chem comp atom.drawing 2d coord y: -5.6308
chem comp atom.pdbx ordinal: 188
chem comp atom.type symbol: H

H198,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H198
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 5.4523
chem comp atom.drawing 2d coord y: -2.7164
chem comp atom.pdbx ordinal: 189
chem comp atom.type symbol: H

H199,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H199
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 5.9826
chem comp atom.drawing 2d coord y: -3.6349
chem comp atom.pdbx ordinal: 190
chem comp atom.type symbol: H

H174,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H174
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 6.0404
chem comp atom.drawing 2d coord y: -7.5933
chem comp atom.pdbx ordinal: 191
chem comp atom.type symbol: H

H175,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H175
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 5.5100
chem comp atom.drawing 2d coord y: -6.6748
chem comp atom.pdbx ordinal: 192
chem comp atom.type symbol: H

H206,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H206
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 3.7357
chem comp atom.drawing 2d coord y: -3.6015
chem comp atom.pdbx ordinal: 193
chem comp atom.type symbol: H

H207,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H207
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 3.2054
chem comp atom.drawing 2d coord y: -2.6830
chem comp atom.pdbx ordinal: 194
chem comp atom.type symbol: H

H166,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H166
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 7.7570
chem comp atom.drawing 2d coord y: -6.7082
chem comp atom.pdbx ordinal: 195
chem comp atom.type symbol: H

H167,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H167
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 8.2872
chem comp atom.drawing 2d coord y: -7.6267
chem comp atom.pdbx ordinal: 196
chem comp atom.type symbol: H

H214,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H214
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 4.3000
chem comp atom.drawing 2d coord y: -0.7205
chem comp atom.pdbx ordinal: 197
chem comp atom.type symbol: H

H215,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H215
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 4.8302
chem comp atom.drawing 2d coord y: -1.6390
chem comp atom.pdbx ordinal: 198
chem comp atom.type symbol: H

H122,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H122
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 14.0489
chem comp atom.drawing 2d coord y: -6.6748
chem comp atom.pdbx ordinal: 199
chem comp atom.type symbol: H

H123,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H123
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 13.5186
chem comp atom.drawing 2d coord y: -7.5933
chem comp atom.pdbx ordinal: 200
chem comp atom.type symbol: H

H114,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H114
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 12.4240
chem comp atom.drawing 2d coord y: -5.6308
chem comp atom.pdbx ordinal: 201
chem comp atom.type symbol: H

H115,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H115
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 12.9543
chem comp atom.drawing 2d coord y: -4.7123
chem comp atom.pdbx ordinal: 202
chem comp atom.type symbol: H

H163,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H163
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 6.7604
chem comp atom.drawing 2d coord y: -9.2264
chem comp atom.pdbx ordinal: 203
chem comp atom.type symbol: H

H130,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H130
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 11.2717
chem comp atom.drawing 2d coord y: -7.6267
chem comp atom.pdbx ordinal: 204
chem comp atom.type symbol: H

H131,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H131
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 11.8020
chem comp atom.drawing 2d coord y: -6.7082
chem comp atom.pdbx ordinal: 205
chem comp atom.type symbol: H

H106,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H106
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 15.2012
chem comp atom.drawing 2d coord y: -4.6789
chem comp atom.pdbx ordinal: 206
chem comp atom.type symbol: H

H107,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H107
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 14.6709
chem comp atom.drawing 2d coord y: -5.5974
chem comp atom.pdbx ordinal: 207
chem comp atom.type symbol: H

H157,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H157
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 8.6272
chem comp atom.drawing 2d coord y: -10.3042
chem comp atom.pdbx ordinal: 208
chem comp atom.type symbol: H

H150,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H150
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 9.2492
chem comp atom.drawing 2d coord y: -8.1821
chem comp atom.pdbx ordinal: 209
chem comp atom.type symbol: H

H151,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H151
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 10.3097
chem comp atom.drawing 2d coord y: -8.1821
chem comp atom.pdbx ordinal: 210
chem comp atom.type symbol: H

H137,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H137
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 12.7986
chem comp atom.drawing 2d coord y: -9.2264
chem comp atom.pdbx ordinal: 211
chem comp atom.type symbol: H

H143,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H143
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 10.9318
chem comp atom.drawing 2d coord y: -10.3042
chem comp atom.pdbx ordinal: 212
chem comp atom.type symbol: H

H97,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H97
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 13.5638
chem comp atom.drawing 2d coord y: -3.4916
chem comp atom.pdbx ordinal: 213
chem comp atom.type symbol: H

H95,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H95
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 14.3888
chem comp atom.drawing 2d coord y: -2.6666
chem comp atom.pdbx ordinal: 214
chem comp atom.type symbol: H

H96,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H96
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 15.2137
chem comp atom.drawing 2d coord y: -3.4916
chem comp atom.pdbx ordinal: 215
chem comp atom.type symbol: H

H224,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H224
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -2.9679
chem comp atom.drawing 2d coord y: 1.8318
chem comp atom.pdbx ordinal: 216
chem comp atom.type symbol: H

H225,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H225
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -1.9823
chem comp atom.drawing 2d coord y: 1.8367
chem comp atom.pdbx ordinal: 217
chem comp atom.type symbol: H

H228,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H228
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -0.5338
chem comp atom.drawing 2d coord y: 1.7478
chem comp atom.pdbx ordinal: 218
chem comp atom.type symbol: H

H229,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H229
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -1.4321
chem comp atom.drawing 2d coord y: 1.8762
chem comp atom.pdbx ordinal: 219
chem comp atom.type symbol: H

H230,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H230
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 2.3629
chem comp atom.drawing 2d coord y: 1.7847
chem comp atom.pdbx ordinal: 220
chem comp atom.type symbol: H

H231,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H231
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 1.6452
chem comp atom.drawing 2d coord y: 1.8854
chem comp atom.pdbx ordinal: 221
chem comp atom.type symbol: H

H226,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H226
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 2.9281
chem comp atom.drawing 2d coord y: 1.8028
chem comp atom.pdbx ordinal: 222
chem comp atom.type symbol: H

H227,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H227
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 3.7164
chem comp atom.drawing 2d coord y: 1.8028
chem comp atom.pdbx ordinal: 223
chem comp atom.type symbol: H

H220,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H220
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -3.5433
chem comp atom.drawing 2d coord y: 0.3579
chem comp atom.pdbx ordinal: 224
chem comp atom.type symbol: H

H221,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H221
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -2.8224
chem comp atom.drawing 2d coord y: 0.2634
chem comp atom.pdbx ordinal: 225
chem comp atom.type symbol: H

H222,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H222
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 2.4373
chem comp atom.drawing 2d coord y: -0.9857
chem comp atom.pdbx ordinal: 226
chem comp atom.type symbol: H

H223,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H223
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 2.8740
chem comp atom.drawing 2d coord y: -1.8128
chem comp atom.pdbx ordinal: 227
chem comp atom.type symbol: H

H216,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H216
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -5.0730
chem comp atom.drawing 2d coord y: 0.5334
chem comp atom.pdbx ordinal: 228
chem comp atom.type symbol: H

H217,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H217
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: -4.4077
chem comp atom.drawing 2d coord y: 0.8482
chem comp atom.pdbx ordinal: 229
chem comp atom.type symbol: H

H218,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H218
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 5.7221
chem comp atom.drawing 2d coord y: 0.4751
chem comp atom.pdbx ordinal: 230
chem comp atom.type symbol: H

H219,1,bmse001028
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
chem comp atom.atom id: H219
chem comp atom.comp id: 1
chem comp atom.entry id: bmse001028
chem comp atom.drawing 2d coord x: 6.4365
chem comp atom.drawing 2d coord y: 0.8876
chem comp atom.pdbx ordinal: 231
chem comp atom.type symbol: H

1,bmse001028,1
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 1
chem comp bond.atom id 1: P91
chem comp bond.atom id 2: O83
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,2
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 2
chem comp bond.atom id 1: P91
chem comp bond.atom id 2: O88
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,3
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 3
chem comp bond.atom id 1: P91
chem comp bond.atom id 2: O87
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,4
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 4
chem comp bond.atom id 1: P91
chem comp bond.atom id 2: O84
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse001028,5
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 5
chem comp bond.atom id 1: O87
chem comp bond.atom id 2: C71
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,6
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 6
chem comp bond.atom id 1: O88
chem comp bond.atom id 2: C72
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,7
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 7
chem comp bond.atom id 1: C71
chem comp bond.atom id 2: C73
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,8
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 8
chem comp bond.atom id 1: C72
chem comp bond.atom id 2: C74
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,9
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 9
chem comp bond.atom id 1: C74
chem comp bond.atom id 2: C70
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,10
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 10
chem comp bond.atom id 1: C74
chem comp bond.atom id 2: O90
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,11
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 11
chem comp bond.atom id 1: C73
chem comp bond.atom id 2: O89
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,12
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 12
chem comp bond.atom id 1: C73
chem comp bond.atom id 2: C69
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,13
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 13
chem comp bond.atom id 1: C69
chem comp bond.atom id 2: O85
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,14
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 14
chem comp bond.atom id 1: C70
chem comp bond.atom id 2: O86
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,15
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 15
chem comp bond.atom id 1: O86
chem comp bond.atom id 2: C76
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,16
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 16
chem comp bond.atom id 1: C76
chem comp bond.atom id 2: C66
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,17
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 17
chem comp bond.atom id 1: O85
chem comp bond.atom id 2: C75
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,18
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 18
chem comp bond.atom id 1: C75
chem comp bond.atom id 2: C65
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,19
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 19
chem comp bond.atom id 1: O89
chem comp bond.atom id 2: C77
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,20
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 20
chem comp bond.atom id 1: C77
chem comp bond.atom id 2: C67
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,21
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 21
chem comp bond.atom id 1: O90
chem comp bond.atom id 2: C78
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,22
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 22
chem comp bond.atom id 1: C78
chem comp bond.atom id 2: C68
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,23
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 23
chem comp bond.atom id 1: C75
chem comp bond.atom id 2: O79
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse001028,24
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 24
chem comp bond.atom id 1: C77
chem comp bond.atom id 2: O81
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse001028,25
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 25
chem comp bond.atom id 1: C78
chem comp bond.atom id 2: O82
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse001028,26
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 26
chem comp bond.atom id 1: C76
chem comp bond.atom id 2: O80
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse001028,27
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 27
chem comp bond.atom id 1: C51
chem comp bond.atom id 2: C47
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,28
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 28
chem comp bond.atom id 1: C51
chem comp bond.atom id 2: C55
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,29
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 29
chem comp bond.atom id 1: C51
chem comp bond.atom id 2: H188
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,30
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 30
chem comp bond.atom id 1: C51
chem comp bond.atom id 2: H189
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,31
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 31
chem comp bond.atom id 1: C47
chem comp bond.atom id 2: C43
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,32
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 32
chem comp bond.atom id 1: C47
chem comp bond.atom id 2: H180
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,33
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 33
chem comp bond.atom id 1: C47
chem comp bond.atom id 2: H181
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,34
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 34
chem comp bond.atom id 1: C55
chem comp bond.atom id 2: C59
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,35
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 35
chem comp bond.atom id 1: C55
chem comp bond.atom id 2: H196
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,36
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 36
chem comp bond.atom id 1: C55
chem comp bond.atom id 2: H197
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,37
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 37
chem comp bond.atom id 1: C43
chem comp bond.atom id 2: C39
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,38
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 38
chem comp bond.atom id 1: C43
chem comp bond.atom id 2: H172
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,39
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 39
chem comp bond.atom id 1: C43
chem comp bond.atom id 2: H173
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,40
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 40
chem comp bond.atom id 1: C59
chem comp bond.atom id 2: C63
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,41
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 41
chem comp bond.atom id 1: C59
chem comp bond.atom id 2: H204
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,42
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 42
chem comp bond.atom id 1: C59
chem comp bond.atom id 2: H205
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,43
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 43
chem comp bond.atom id 1: C39
chem comp bond.atom id 2: C37
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,44
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 44
chem comp bond.atom id 1: C39
chem comp bond.atom id 2: H164
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,45
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 45
chem comp bond.atom id 1: C39
chem comp bond.atom id 2: H165
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,46
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 46
chem comp bond.atom id 1: C63
chem comp bond.atom id 2: H212
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,47
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 47
chem comp bond.atom id 1: C63
chem comp bond.atom id 2: H213
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,48
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 48
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C9
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,49
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 49
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C17
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,50
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 50
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H120
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,51
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 51
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H121
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,52
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 52
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C5
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,53
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 53
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H112
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,54
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 54
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H113
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,55
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 55
chem comp bond.atom id 1: C37
chem comp bond.atom id 2: C33
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse001028,56
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 56
chem comp bond.atom id 1: C37
chem comp bond.atom id 2: H162
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,57
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 57
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C21
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,58
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 58
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H128
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,59
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 59
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H129
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,60
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 60
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C1
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,61
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 61
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H104
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,62
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 62
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H105
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,63
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 63
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: C29
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,64
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 64
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: H156
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,65
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 65
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: C25
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,66
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 66
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: H148
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,67
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 67
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: H149
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,68
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 68
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C25
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse001028,69
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 69
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H136
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,70
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 70
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H142
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,71
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 71
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H94
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,72
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 72
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H92
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,73
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 73
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H93
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,74
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 74
chem comp bond.atom id 1: C63
chem comp bond.atom id 2: C67
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,75
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 75
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H100
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,76
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 76
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H98
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,77
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 77
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H99
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,78
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 78
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H108
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,79
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 79
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H109
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,80
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 80
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C3
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,81
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 81
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H116
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,82
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 82
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H117
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,83
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 83
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C7
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,84
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 84
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H124
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,85
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 85
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H125
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,86
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 86
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C11
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,87
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 87
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H132
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,88
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 88
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H133
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,89
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 89
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C15
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,90
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 90
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H138
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,91
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 91
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H139
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,92
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 92
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C19
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,93
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 93
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: C35
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,94
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 94
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: C27
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,95
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 95
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: H152
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,96
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 96
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: H153
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,97
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 97
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: C41
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,98
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 98
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: H158
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,99
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 99
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: H159
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,100
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 100
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C23
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,101
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 101
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H144
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,102
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 102
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H145
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,103
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 103
chem comp bond.atom id 1: C41
chem comp bond.atom id 2: C45
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,104
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 104
chem comp bond.atom id 1: C41
chem comp bond.atom id 2: H168
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,105
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 105
chem comp bond.atom id 1: C41
chem comp bond.atom id 2: H169
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,106
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 106
chem comp bond.atom id 1: C45
chem comp bond.atom id 2: C49
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,107
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 107
chem comp bond.atom id 1: C45
chem comp bond.atom id 2: H176
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,108
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 108
chem comp bond.atom id 1: C45
chem comp bond.atom id 2: H177
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,109
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 109
chem comp bond.atom id 1: C49
chem comp bond.atom id 2: C53
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,110
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 110
chem comp bond.atom id 1: C49
chem comp bond.atom id 2: H184
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,111
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 111
chem comp bond.atom id 1: C49
chem comp bond.atom id 2: H185
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,112
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 112
chem comp bond.atom id 1: C53
chem comp bond.atom id 2: C57
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,113
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 113
chem comp bond.atom id 1: C53
chem comp bond.atom id 2: H192
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,114
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 114
chem comp bond.atom id 1: C53
chem comp bond.atom id 2: H193
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,115
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 115
chem comp bond.atom id 1: C57
chem comp bond.atom id 2: C61
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,116
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 116
chem comp bond.atom id 1: C57
chem comp bond.atom id 2: H200
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,117
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 117
chem comp bond.atom id 1: C57
chem comp bond.atom id 2: H201
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,118
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 118
chem comp bond.atom id 1: C61
chem comp bond.atom id 2: H208
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,119
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 119
chem comp bond.atom id 1: C61
chem comp bond.atom id 2: H209
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,120
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 120
chem comp bond.atom id 1: C61
chem comp bond.atom id 2: C65
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,121
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 121
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H101
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,122
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 122
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H102
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,123
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 123
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H103
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,124
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 124
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H110
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,125
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 125
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H111
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,126
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 126
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C4
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,127
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 127
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H118
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,128
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 128
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H119
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,129
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 129
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C8
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,130
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 130
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H126
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,131
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 131
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H127
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,132
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 132
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C12
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,133
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 133
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H134
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,134
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 134
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H135
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,135
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 135
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C16
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,136
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 136
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H140
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,137
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 137
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H141
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,138
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 138
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C20
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,139
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 139
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: C36
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,140
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 140
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: C28
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,141
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 141
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: H154
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,142
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 142
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: H155
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,143
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 143
chem comp bond.atom id 1: C36
chem comp bond.atom id 2: C42
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,144
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 144
chem comp bond.atom id 1: C36
chem comp bond.atom id 2: H160
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,145
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 145
chem comp bond.atom id 1: C36
chem comp bond.atom id 2: H161
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,146
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 146
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C24
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,147
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 147
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H146
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,148
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 148
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H147
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,149
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 149
chem comp bond.atom id 1: C42
chem comp bond.atom id 2: C46
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,150
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 150
chem comp bond.atom id 1: C42
chem comp bond.atom id 2: H170
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,151
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 151
chem comp bond.atom id 1: C42
chem comp bond.atom id 2: H171
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,152
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 152
chem comp bond.atom id 1: C46
chem comp bond.atom id 2: C50
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,153
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 153
chem comp bond.atom id 1: C46
chem comp bond.atom id 2: H178
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,154
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 154
chem comp bond.atom id 1: C46
chem comp bond.atom id 2: H179
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,155
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 155
chem comp bond.atom id 1: C50
chem comp bond.atom id 2: C54
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,156
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 156
chem comp bond.atom id 1: C50
chem comp bond.atom id 2: H186
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,157
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 157
chem comp bond.atom id 1: C50
chem comp bond.atom id 2: H187
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,158
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 158
chem comp bond.atom id 1: C54
chem comp bond.atom id 2: C58
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,159
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 159
chem comp bond.atom id 1: C54
chem comp bond.atom id 2: H194
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse001028,160
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse001028
chem comp bond.comp id: 1
chem comp bond.entry id: bmse001028
chem comp bond.id: 160
chem comp bond.atom id 1: C54
chem comp bond.atom id 2: H195
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp bond
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type: chem comp citation
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of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
entry src.entry id: bmse001028
entry src.id: 2
entry src.organization full name: Biological Magnetic Resonance Bank
entry src.organization initials: BMRB
entry src.project name: metabolomics

bmse001028,1,1
type: experiment
of datablock: info:bmrb.metabolomics/bmse001028
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bmse001028,1,2
type: experiment
of datablock: info:bmrb.metabolomics/bmse001028
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bmse001028,1,3
type: experiment
of datablock: info:bmrb.metabolomics/bmse001028
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bmse001028,1,4
type: experiment
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bmse001028,1,5
type: experiment
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bmse001028,1,6
type: experiment
of datablock: info:bmrb.metabolomics/bmse001028
experiment.entry id: bmse001028
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bmse001028,1,7
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of datablock: info:bmrb.metabolomics/bmse001028
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bmse001028,1,8
type: experiment
of datablock: info:bmrb.metabolomics/bmse001028
experiment.entry id: bmse001028
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bmse001028,1,9
type: experiment
of datablock: info:bmrb.metabolomics/bmse001028
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1,1H
type: experiment file
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1,00.png
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1,01.png
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1,02.png
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1,03.png
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2,HH TOCSY
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experiment file.experiment id: 2
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2,00.png
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2,01.png
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3,13C
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3,00.png
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3,01.png
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3,02.png
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3,03.png
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4,DEPT 90
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experiment file.experiment id: 4
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4,00.png
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4,01.png
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5,DEPT 135
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experiment file.experiment id: 5
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5,00.png
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5,01.png
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5,02.png
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5,03.png
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6,1H 13C HSQC
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experiment file.name: 1H_13C_HSQC
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6,00.png
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6,01.png
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experiment file.experiment id: 6
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6,02.png
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6,03.png
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7,1H 13C HMBC
type: experiment file
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experiment file.experiment id: 7
experiment file.name: 1H_13C_HMBC
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7,00.png
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7,01.png
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experiment file.experiment id: 7
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7,02.png
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experiment file.experiment id: 7
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experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra/1H_13C_HMBC
experiment file.entry id: bmse001028
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8,HH COSY
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001028
experiment file.experiment id: 8
experiment file.name: HH_COSY
experiment file.details: Time-domain (raw spectral data)
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8,00.png
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experiment file.experiment id: 8
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experiment file.details: Spectral image
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8,01.png
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experiment file.experiment id: 8
experiment file.name: 01.png
experiment file.details: Spectral image
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experiment file.entry id: bmse001028
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9,1H 13C HSQC SW small
type: experiment file
of datablock: info:bmrb.metabolomics/bmse001028
experiment file.experiment id: 9
experiment file.name: 1H_13C_HSQC_SW_small
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experiment file.directory path: nmr/set01/
experiment file.entry id: bmse001028
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bmse001028,1
type: experiment list
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
experiment list.entry id: bmse001028
experiment list.id: 1
experiment list.sf category: experiment_list
experiment list.sf framecode: experiment_list

bmse001028,1
type: nmr spectrometer
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
nmr spectrometer.entry id: bmse001028
nmr spectrometer.id: 1
nmr spectrometer.field strength: 500
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: DMX
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: Bruker_DMX_500

bmse001028,1
type: release
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
release.entry id: bmse001028
release.release number: 1
release.author: BMRB
release.date: 2013-02-18Z
release.detail: Original spectra from BMRB
release.submission date: 2011-08-25Z
release.type: original

bmse001028,2
type: release
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
release.entry id: bmse001028
release.release number: 2
release.author: BMRB
release.date: 2013-02-21Z
release.detail: Updating assignments with fixed assignment file
release.submission date: 2011-08-25Z
release.type: update

bmse001028,3
type: release
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
release.entry id: bmse001028
release.release number: 3
release.author: BMRB
release.date: 2013-03-05Z
release.detail: Added PubChem SID 160963347 to database loop
release.submission date: 2011-08-25Z
release.type: update

bmse001028,4
type: release
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
release.entry id: bmse001028
release.release number: 4
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

bmse001028,5
type: release
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
release.entry id: bmse001028
release.release number: 5
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

bmse001028,1
type: sample
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
sample.entry id: bmse001028
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

bmse001028,1,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse001028
sample component.entry id: bmse001028
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: L-alpha-Phosphatidyl-DL-glycerol
sample component.isotopic labeling: natural abundance
sample component.mol common name: L-alpha-Phosphatidyl-DL-glycerol
sample component.type: Solute
sample component.vendor: sigma
sample component.vendor product code: P8318
sample component.vendor product name: L-alpha-Phosphatidyl-DL-glycerol sodium salt from egg yolk lecithin%

bmse001028,2,1
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sample component.concentration val: 100
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: CDCl3
sample component.type: Solvent

bmse001028,3,1
type: sample component
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sample component.concentration val: 0.05
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: TMS
sample component.type: Reference

bmse001028,1
type: sample condition list
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sample condition list.entry id: bmse001028
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bmse001028,1,pH
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sample condition variable.entry id: bmse001028
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: n/a
sample condition variable.val units: pH

bmse001028,1,temperature
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse001028
sample condition variable.entry id: bmse001028
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val units: K

bmse001028,1
type: software
of datablock: info:bmrb.metabolomics/bmse001028
reference to entry: bmse001028
software.entry id: bmse001028
software.id: 1
software.name: TopSpin
software.sf category: software
software.sf framecode: software_1
software.version: 2.1

H,bmse001028,1,1,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse001028
spectral dim.atom type: H
spectral dim.entry id: bmse001028
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: 6493.506

C,bmse001028,2,2,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse001028
spectral dim.atom type: C
spectral dim.entry id: bmse001028
spectral dim.id: 2
spectral dim.spectral peak list id: 2
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 29761.90

bmse001028,1,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 1
spectral transition.spectral peak list id: 1

bmse001028,2,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 2
spectral transition.spectral peak list id: 1

bmse001028,3,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 3
spectral transition.spectral peak list id: 1

bmse001028,4,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 4
spectral transition.spectral peak list id: 1

bmse001028,5,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 5
spectral transition.spectral peak list id: 1

bmse001028,6,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 6
spectral transition.spectral peak list id: 1

bmse001028,7,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 7
spectral transition.spectral peak list id: 1

bmse001028,8,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 8
spectral transition.spectral peak list id: 1

bmse001028,9,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 9
spectral transition.spectral peak list id: 1

bmse001028,10,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 10
spectral transition.spectral peak list id: 1

bmse001028,11,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 11
spectral transition.spectral peak list id: 1

bmse001028,12,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 12
spectral transition.spectral peak list id: 1

bmse001028,13,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 13
spectral transition.spectral peak list id: 1

bmse001028,14,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 14
spectral transition.spectral peak list id: 1

bmse001028,15,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 15
spectral transition.spectral peak list id: 1

bmse001028,16,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 16
spectral transition.spectral peak list id: 1

bmse001028,17,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 17
spectral transition.spectral peak list id: 1

bmse001028,18,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 18
spectral transition.spectral peak list id: 1

bmse001028,19,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 19
spectral transition.spectral peak list id: 1

bmse001028,20,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 20
spectral transition.spectral peak list id: 1

bmse001028,21,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 21
spectral transition.spectral peak list id: 1

bmse001028,22,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 22
spectral transition.spectral peak list id: 1

bmse001028,23,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 23
spectral transition.spectral peak list id: 1

bmse001028,24,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 24
spectral transition.spectral peak list id: 1

bmse001028,25,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 25
spectral transition.spectral peak list id: 1

bmse001028,26,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 26
spectral transition.spectral peak list id: 1

bmse001028,27,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 27
spectral transition.spectral peak list id: 1

bmse001028,28,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 28
spectral transition.spectral peak list id: 1

bmse001028,29,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 29
spectral transition.spectral peak list id: 1

bmse001028,30,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 30
spectral transition.spectral peak list id: 1

bmse001028,31,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 31
spectral transition.spectral peak list id: 1

bmse001028,32,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 32
spectral transition.spectral peak list id: 1

bmse001028,33,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 33
spectral transition.spectral peak list id: 1

bmse001028,34,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 34
spectral transition.spectral peak list id: 1

bmse001028,35,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 35
spectral transition.spectral peak list id: 1

bmse001028,36,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 36
spectral transition.spectral peak list id: 1

bmse001028,37,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 37
spectral transition.spectral peak list id: 1

bmse001028,38,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 38
spectral transition.spectral peak list id: 1

bmse001028,39,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 39
spectral transition.spectral peak list id: 1

bmse001028,40,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 40
spectral transition.spectral peak list id: 1

bmse001028,41,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 41
spectral transition.spectral peak list id: 1

bmse001028,42,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 42
spectral transition.spectral peak list id: 1

bmse001028,43,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 43
spectral transition.spectral peak list id: 1

bmse001028,44,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 44
spectral transition.spectral peak list id: 2

bmse001028,45,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 45
spectral transition.spectral peak list id: 2

bmse001028,46,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 46
spectral transition.spectral peak list id: 2

bmse001028,47,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 47
spectral transition.spectral peak list id: 2

bmse001028,48,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 48
spectral transition.spectral peak list id: 2

bmse001028,49,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 49
spectral transition.spectral peak list id: 2

bmse001028,50,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 50
spectral transition.spectral peak list id: 2

bmse001028,51,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 51
spectral transition.spectral peak list id: 2

bmse001028,52,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 52
spectral transition.spectral peak list id: 2

bmse001028,53,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 53
spectral transition.spectral peak list id: 2

bmse001028,54,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 54
spectral transition.spectral peak list id: 2

bmse001028,55,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 55
spectral transition.spectral peak list id: 2

bmse001028,56,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 56
spectral transition.spectral peak list id: 2

bmse001028,57,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 57
spectral transition.spectral peak list id: 2

bmse001028,58,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 58
spectral transition.spectral peak list id: 2

bmse001028,59,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 59
spectral transition.spectral peak list id: 2

bmse001028,60,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 60
spectral transition.spectral peak list id: 2

bmse001028,61,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 61
spectral transition.spectral peak list id: 2

bmse001028,62,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 62
spectral transition.spectral peak list id: 2

bmse001028,63,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 63
spectral transition.spectral peak list id: 2

bmse001028,64,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 64
spectral transition.spectral peak list id: 2

bmse001028,65,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 65
spectral transition.spectral peak list id: 2

bmse001028,66,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 66
spectral transition.spectral peak list id: 2

bmse001028,67,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 67
spectral transition.spectral peak list id: 2

bmse001028,68,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 68
spectral transition.spectral peak list id: 2

bmse001028,69,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 69
spectral transition.spectral peak list id: 2

bmse001028,70,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 70
spectral transition.spectral peak list id: 2

bmse001028,71,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 71
spectral transition.spectral peak list id: 2

bmse001028,72,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 72
spectral transition.spectral peak list id: 2

bmse001028,73,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 73
spectral transition.spectral peak list id: 2

bmse001028,74,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 74
spectral transition.spectral peak list id: 2

bmse001028,75,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 75
spectral transition.spectral peak list id: 2

bmse001028,76,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 76
spectral transition.spectral peak list id: 2

bmse001028,77,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 77
spectral transition.spectral peak list id: 2

bmse001028,78,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 78
spectral transition.spectral peak list id: 2

bmse001028,79,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 79
spectral transition.spectral peak list id: 2

bmse001028,80,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 80
spectral transition.spectral peak list id: 2

bmse001028,81,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 81
spectral transition.spectral peak list id: 2

bmse001028,82,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 82
spectral transition.spectral peak list id: 2

bmse001028,83,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 83
spectral transition.spectral peak list id: 2

bmse001028,84,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 84
spectral transition.spectral peak list id: 2

bmse001028,85,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 85
spectral transition.spectral peak list id: 2

bmse001028,86,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 86
spectral transition.spectral peak list id: 2

bmse001028,87,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 87
spectral transition.spectral peak list id: 2

bmse001028,88,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 88
spectral transition.spectral peak list id: 2

bmse001028,89,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 89
spectral transition.spectral peak list id: 2

bmse001028,90,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 90
spectral transition.spectral peak list id: 2

bmse001028,91,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 91
spectral transition.spectral peak list id: 2

bmse001028,92,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition.entry id: bmse001028
spectral transition.id: 92
spectral transition.spectral peak list id: 2

bmse001028,1,1,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 5.370

bmse001028,1,1,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 5.354

bmse001028,1,1,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 5.348

bmse001028,1,1,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 5.340

bmse001028,1,1,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 5.329

bmse001028,1,1,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 5.221

bmse001028,1,1,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 4.400

bmse001028,1,1,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 4.378

bmse001028,1,1,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 4.161

bmse001028,1,1,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 3.919

bmse001028,1,1,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 3.668

bmse001028,1,1,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 3.650

bmse001028,1,1,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 3.600

bmse001028,1,1,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.844

bmse001028,1,1,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.833

bmse001028,1,1,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.820

bmse001028,1,1,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.809

bmse001028,1,1,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.797

bmse001028,1,1,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.778

bmse001028,1,1,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.764

bmse001028,1,1,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.751

bmse001028,1,1,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.327

bmse001028,1,1,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.311

bmse001028,1,1,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.298

bmse001028,1,1,25
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.284

bmse001028,1,1,26
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.268

bmse001028,1,1,27
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.052

bmse001028,1,1,28
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.039

bmse001028,1,1,29
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.023

bmse001028,1,1,30
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 2.011

bmse001028,1,1,31
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 1.999

bmse001028,1,1,32
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 1.586

bmse001028,1,1,33
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 1.574

bmse001028,1,1,34
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 1.354

bmse001028,1,1,35
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 1.339

bmse001028,1,1,36
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 1.292

bmse001028,1,1,37
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 1.265

bmse001028,1,1,38
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 1.250

bmse001028,1,1,39
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 0.901

bmse001028,1,1,40
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 0.891

bmse001028,1,1,41
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 0.888

bmse001028,1,1,42
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 0.878

bmse001028,1,1,43
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
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: 0.863

bmse001028,1,2,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 1
spectral transition char.chem shift val: 173.801

bmse001028,1,2,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 2
spectral transition char.chem shift val: 173.552

bmse001028,1,2,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 3
spectral transition char.chem shift val: 130.487

bmse001028,1,2,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 4
spectral transition char.chem shift val: 130.235

bmse001028,1,2,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 5
spectral transition char.chem shift val: 130.000

bmse001028,1,2,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 6
spectral transition char.chem shift val: 129.952

bmse001028,1,2,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 7
spectral transition char.chem shift val: 129.649

bmse001028,1,2,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 8
spectral transition char.chem shift val: 128.912

bmse001028,1,2,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 9
spectral transition char.chem shift val: 128.836

bmse001028,1,2,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 10
spectral transition char.chem shift val: 128.622

bmse001028,1,2,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 11
spectral transition char.chem shift val: 128.324

bmse001028,1,2,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 12
spectral transition char.chem shift val: 128.073

bmse001028,1,2,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 13
spectral transition char.chem shift val: 127.883

bmse001028,1,2,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 14
spectral transition char.chem shift val: 127.818

bmse001028,1,2,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 15
spectral transition char.chem shift val: 127.532

bmse001028,1,2,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 16
spectral transition char.chem shift val: 70.979

bmse001028,1,2,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 17
spectral transition char.chem shift val: 70.956

bmse001028,1,2,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 18
spectral transition char.chem shift val: 70.487

bmse001028,1,2,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 19
spectral transition char.chem shift val: 67.180

bmse001028,1,2,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 20
spectral transition char.chem shift val: 63.603

bmse001028,1,2,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 21
spectral transition char.chem shift val: 62.884

bmse001028,1,2,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 22
spectral transition char.chem shift val: 62.758

bmse001028,1,2,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 23
spectral transition char.chem shift val: 34.296

bmse001028,1,2,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 24
spectral transition char.chem shift val: 34.131

bmse001028,1,2,25
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 25
spectral transition char.chem shift val: 31.962

bmse001028,1,2,26
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 26
spectral transition char.chem shift val: 31.942

bmse001028,1,2,27
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 27
spectral transition char.chem shift val: 31.544

bmse001028,1,2,28
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 28
spectral transition char.chem shift val: 29.848

bmse001028,1,2,29
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 29
spectral transition char.chem shift val: 29.806

bmse001028,1,2,30
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 30
spectral transition char.chem shift val: 29.753

bmse001028,1,2,31
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 31
spectral transition char.chem shift val: 29.730

bmse001028,1,2,32
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 32
spectral transition char.chem shift val: 29.682

bmse001028,1,2,33
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 33
spectral transition char.chem shift val: 29.586

bmse001028,1,2,34
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 34
spectral transition char.chem shift val: 29.467

bmse001028,1,2,35
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 35
spectral transition char.chem shift val: 29.425

bmse001028,1,2,36
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 36
spectral transition char.chem shift val: 29.376

bmse001028,1,2,37
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 37
spectral transition char.chem shift val: 29.316

bmse001028,1,2,38
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 38
spectral transition char.chem shift val: 29.300

bmse001028,1,2,39
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 39
spectral transition char.chem shift val: 29.205

bmse001028,1,2,40
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 40
spectral transition char.chem shift val: 27.260

bmse001028,1,2,41
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 41
spectral transition char.chem shift val: 27.210

bmse001028,1,2,42
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 42
spectral transition char.chem shift val: 25.633

bmse001028,1,2,43
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 43
spectral transition char.chem shift val: 25.614

bmse001028,1,2,44
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 44
spectral transition char.chem shift val: 24.968

bmse001028,1,2,45
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 45
spectral transition char.chem shift val: 24.896

bmse001028,1,2,46
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 46
spectral transition char.chem shift val: 22.730

bmse001028,1,2,47
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 47
spectral transition char.chem shift val: 22.603

bmse001028,1,2,48
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 48
spectral transition char.chem shift val: 14.159

bmse001028,1,2,49
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition char.entry id: bmse001028
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 49
spectral transition char.chem shift val: 14.117

bmse001028,1415101,1,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 1415101
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 1
spectral transition general char.measurement method: height

bmse001028,1656783,1,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 1656783
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 2
spectral transition general char.measurement method: height

bmse001028,1325948,1,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 1325948
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 3
spectral transition general char.measurement method: height

bmse001028,2908186,1,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 2908186
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 4
spectral transition general char.measurement method: height

bmse001028,2594252,1,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 2594252
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 5
spectral transition general char.measurement method: height

bmse001028,522620,1,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 522620
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 6
spectral transition general char.measurement method: height

bmse001028,293557,1,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 293557
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 7
spectral transition general char.measurement method: height

bmse001028,398673,1,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 398673
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 8
spectral transition general char.measurement method: height

bmse001028,276259,1,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 276259
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 9
spectral transition general char.measurement method: height

bmse001028,1286898,1,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 1286898
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 10
spectral transition general char.measurement method: height

bmse001028,198513,1,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 198513
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 11
spectral transition general char.measurement method: height

bmse001028,358859,1,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 358859
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 12
spectral transition general char.measurement method: height

bmse001028,271669,1,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 271669
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 13
spectral transition general char.measurement method: height

bmse001028,90124,1,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 90124
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 14
spectral transition general char.measurement method: height

bmse001028,169366,1,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 169366
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 15
spectral transition general char.measurement method: height

bmse001028,188187,1,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 188187
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 16
spectral transition general char.measurement method: height

bmse001028,281275,1,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 281275
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 17
spectral transition general char.measurement method: height

bmse001028,226938,1,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 226938
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 18
spectral transition general char.measurement method: height

bmse001028,485669,1,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 485669
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 19
spectral transition general char.measurement method: height

bmse001028,1141344,1,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 1141344
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 20
spectral transition general char.measurement method: height

bmse001028,531281,1,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 531281
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 21
spectral transition general char.measurement method: height

bmse001028,1265053,1,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 1265053
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 22
spectral transition general char.measurement method: height

bmse001028,2381472,1,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 2381472
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 23
spectral transition general char.measurement method: height

bmse001028,2798848,1,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 2798848
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 24
spectral transition general char.measurement method: height

bmse001028,2782864,1,25
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 2782864
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 25
spectral transition general char.measurement method: height

bmse001028,1637856,1,26
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 1637856
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 26
spectral transition general char.measurement method: height

bmse001028,1768778,1,27
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 1768778
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 27
spectral transition general char.measurement method: height

bmse001028,1934158,1,28
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 1934158
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 28
spectral transition general char.measurement method: height

bmse001028,1653022,1,29
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 1653022
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 29
spectral transition general char.measurement method: height

bmse001028,2691044,1,30
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 2691044
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 30
spectral transition general char.measurement method: height

bmse001028,2517334,1,31
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 2517334
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 31
spectral transition general char.measurement method: height

bmse001028,2373215,1,32
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 2373215
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 32
spectral transition general char.measurement method: height

bmse001028,2625681,1,33
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 2625681
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 33
spectral transition general char.measurement method: height

bmse001028,1548667,1,34
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 1548667
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 34
spectral transition general char.measurement method: height

bmse001028,2430353,1,35
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 2430353
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 35
spectral transition general char.measurement method: height

bmse001028,14265500,1,36
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 14265500
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 36
spectral transition general char.measurement method: height

bmse001028,17890790,1,37
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 17890790
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 37
spectral transition general char.measurement method: height

bmse001028,51348730,1,38
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 51348730
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 38
spectral transition general char.measurement method: height

bmse001028,1630168,1,39
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 1630168
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 39
spectral transition general char.measurement method: height

bmse001028,6232377,1,40
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 6232377
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 40
spectral transition general char.measurement method: height

bmse001028,6409404,1,41
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 6409404
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 41
spectral transition general char.measurement method: height

bmse001028,12364450,1,42
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 12364450
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 42
spectral transition general char.measurement method: height

bmse001028,5355136,1,43
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 5355136
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 43
spectral transition general char.measurement method: height

bmse001028,26949850,2,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 26949850
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 1
spectral transition general char.measurement method: height

bmse001028,17745780,2,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 17745780
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 2
spectral transition general char.measurement method: height

bmse001028,9678074,2,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 9678074
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 3
spectral transition general char.measurement method: height

bmse001028,51590760,2,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 51590760
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 4
spectral transition general char.measurement method: height

bmse001028,65670160,2,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 65670160
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 5
spectral transition general char.measurement method: height

bmse001028,44184130,2,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 44184130
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 6
spectral transition general char.measurement method: height

bmse001028,68156120,2,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 68156120
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 7
spectral transition general char.measurement method: height

bmse001028,4400983,2,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 4400983
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 8
spectral transition general char.measurement method: height

bmse001028,4315955,2,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 4315955
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 9
spectral transition general char.measurement method: height

bmse001028,8770882,2,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 8770882
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 10
spectral transition general char.measurement method: height

bmse001028,6189797,2,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 6189797
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 11
spectral transition general char.measurement method: height

bmse001028,47994410,2,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 47994410
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 12
spectral transition general char.measurement method: height

bmse001028,45670080,2,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 45670080
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 13
spectral transition general char.measurement method: height

bmse001028,8826818,2,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 8826818
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 14
spectral transition general char.measurement method: height

bmse001028,9039665,2,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 9039665
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 15
spectral transition general char.measurement method: height

bmse001028,10344990,2,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 10344990
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 16
spectral transition general char.measurement method: height

bmse001028,10392680,2,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 10392680
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 17
spectral transition general char.measurement method: height

bmse001028,8499069,2,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 8499069
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 18
spectral transition general char.measurement method: height

bmse001028,7160389,2,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 7160389
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 19
spectral transition general char.measurement method: height

bmse001028,9324612,2,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 9324612
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 20
spectral transition general char.measurement method: height

bmse001028,12447010,2,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 12447010
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 21
spectral transition general char.measurement method: height

bmse001028,16478620,2,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 16478620
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 22
spectral transition general char.measurement method: height

bmse001028,40482680,2,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 40482680
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 23
spectral transition general char.measurement method: height

bmse001028,52481540,2,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 52481540
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 24
spectral transition general char.measurement method: height

bmse001028,129666200,2,25
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 129666200
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 25
spectral transition general char.measurement method: height

bmse001028,103770900,2,26
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 103770900
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 26
spectral transition general char.measurement method: height

bmse001028,62278110,2,27
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 62278110
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 27
spectral transition general char.measurement method: height

bmse001028,80937040,2,28
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 80937040
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 28
spectral transition general char.measurement method: height

bmse001028,375388300,2,29
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 375388300
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 29
spectral transition general char.measurement method: height

bmse001028,71528370,2,30
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 71528370
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 30
spectral transition general char.measurement method: height

bmse001028,137617200,2,31
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 137617200
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 31
spectral transition general char.measurement method: height

bmse001028,87944100,2,32
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 87944100
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 32
spectral transition general char.measurement method: height

bmse001028,85454540,2,33
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 85454540
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 33
spectral transition general char.measurement method: height

bmse001028,86426350,2,34
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 86426350
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 34
spectral transition general char.measurement method: height

bmse001028,144260600,2,35
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 144260600
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 35
spectral transition general char.measurement method: height

bmse001028,184250400,2,36
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 184250400
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 36
spectral transition general char.measurement method: height

bmse001028,94974600,2,37
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 94974600
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 37
spectral transition general char.measurement method: height

bmse001028,97993770,2,38
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 97993770
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 38
spectral transition general char.measurement method: height

bmse001028,78231620,2,39
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 78231620
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 39
spectral transition general char.measurement method: height

bmse001028,192565200,2,40
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 192565200
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 40
spectral transition general char.measurement method: height

bmse001028,62771930,2,41
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 62771930
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 41
spectral transition general char.measurement method: height

bmse001028,62590600,2,42
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 62590600
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 42
spectral transition general char.measurement method: height

bmse001028,20494190,2,43
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 20494190
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 43
spectral transition general char.measurement method: height

bmse001028,63124260,2,44
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 63124260
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 44
spectral transition general char.measurement method: height

bmse001028,86422810,2,45
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 86422810
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 45
spectral transition general char.measurement method: height

bmse001028,176032600,2,46
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 176032600
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 46
spectral transition general char.measurement method: height

bmse001028,57044290,2,47
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 57044290
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 47
spectral transition general char.measurement method: height

bmse001028,256228500,2,48
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 256228500
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 48
spectral transition general char.measurement method: height

bmse001028,72778270,2,49
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse001028
spectral transition general char.entry id: bmse001028
spectral transition general char.intensity val: 72778270
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 49
spectral transition general char.measurement method: height

bmse001028,1,Collection
type: task
of datablock: info:bmrb.metabolomics/bmse001028
task.entry id: bmse001028
task.software id: 1
task.task: Collection

bmse001028,1,Processing
type: task
of datablock: info:bmrb.metabolomics/bmse001028
task.entry id: bmse001028
task.software id: 1
task.task: Processing

bmse001028,1,Data analysis
type: task
of datablock: info:bmrb.metabolomics/bmse001028
task.entry id: bmse001028
task.software id: 1
task.task: Data analysis

bmse001028,1,Peak picking
type: task
of datablock: info:bmrb.metabolomics/bmse001028
task.entry id: bmse001028
task.software id: 1
task.task: Peak picking

bmse001028,Bruker Biospin,1
type: vendor
of datablock: info:bmrb.metabolomics/bmse001028
vendor.entry id: bmse001028
vendor.name: Bruker Biospin
vendor.software id: 1