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assembly.name: L-(-) Arabitol
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bmse000068
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referenced by entity experimental src list: bmse000068,1
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type: entry
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entry.id: bmse000068
entry.type: metabolite/natural product
entry.accession date: 2006-02-22Z
entry.bmrb internal directory name: L_arabitol
entry.doi: 10.13018/BMSE000068
entry.experimental method: NMR
entry.experimental method subtype: solution
entry.last release date: 2013-03-25Z
entry.nmr star version: 3.1.1.31
entry.original nmr star version: 3.1
entry.original release date: 2006-02-22Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information
entry.submission date: 2006-02-22Z
entry.title: L_arabitol
entry.version type: update
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bmse000068,1
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of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
chem comp.entry id: bmse000068
chem comp.id: 1
chem comp.aromatic: no
chem comp.formula: C5 H12 O5
chem comp.formula mono iso wt 13c: 157.0852
chem comp.formula mono iso wt 13c 15n: 157.0852
chem comp.formula mono iso wt 15n: 152.0685
chem comp.formula mono iso wt nat: 152.0685
chem comp.formula weight: 152.1458
chem comp.image file format: png
chem comp.image file name: bmse000068.png
chem comp.inchi code: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1
chem comp.name: L-(-) Arabitol
chem comp.paramagnetic: no
chem comp.provenance: PubChem
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_1
chem comp.struct file format: mol
chem comp.struct file name: bmse000068.mol
chem comp.type: NON-POLYMER

C5,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: C5
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 5.1350
chem comp atom.drawing 2d coord y: -0.2500
chem comp atom.pdbx ordinal: 1
chem comp atom.type symbol: C

C3,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: C3
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 6.0010
chem comp atom.drawing 2d coord y: 0.2500
chem comp atom.pdbx ordinal: 2
chem comp atom.type symbol: C

C4,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: C4
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 4.2690
chem comp atom.drawing 2d coord y: 0.2500
chem comp atom.pdbx ordinal: 3
chem comp atom.type symbol: C

O10,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: O10
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 5.1350
chem comp atom.drawing 2d coord y: -1.2500
chem comp atom.pdbx ordinal: 4
chem comp atom.type symbol: O

C1,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: C1
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 6.8671
chem comp atom.drawing 2d coord y: -0.2500
chem comp atom.pdbx ordinal: 5
chem comp atom.type symbol: C

O8,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: O8
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 6.0010
chem comp atom.drawing 2d coord y: 1.2500
chem comp atom.pdbx ordinal: 6
chem comp atom.type symbol: O

C2,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: C2
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 3.4030
chem comp atom.drawing 2d coord y: -0.2500
chem comp atom.pdbx ordinal: 7
chem comp atom.type symbol: C

O9,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: O9
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 4.2690
chem comp atom.drawing 2d coord y: 1.2500
chem comp atom.pdbx ordinal: 8
chem comp atom.type symbol: O

O6,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: O6
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 7.7331
chem comp atom.drawing 2d coord y: 0.2500
chem comp atom.pdbx ordinal: 9
chem comp atom.type symbol: O

O7,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: O7
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 2.5369
chem comp atom.drawing 2d coord y: 0.2500
chem comp atom.pdbx ordinal: 10
chem comp atom.type symbol: O

H17,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: H17
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 5.6719
chem comp atom.drawing 2d coord y: -0.5600
chem comp atom.pdbx ordinal: 11
chem comp atom.type symbol: H

H15,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: H15
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 6.5380
chem comp atom.drawing 2d coord y: 0.5600
chem comp atom.pdbx ordinal: 12
chem comp atom.type symbol: H

H16,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: H16
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 4.8059
chem comp atom.drawing 2d coord y: 0.5600
chem comp atom.pdbx ordinal: 13
chem comp atom.type symbol: H

H22,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: H22
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 4.5981
chem comp atom.drawing 2d coord y: -1.5600
chem comp atom.pdbx ordinal: 14
chem comp atom.type symbol: H

H11,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: H11
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 6.4685
chem comp atom.drawing 2d coord y: -0.7249
chem comp atom.pdbx ordinal: 15
chem comp atom.type symbol: H

H12,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: H12
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 7.2656
chem comp atom.drawing 2d coord y: -0.7249
chem comp atom.pdbx ordinal: 16
chem comp atom.type symbol: H

H20,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: H20
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 6.5380
chem comp atom.drawing 2d coord y: 1.5600
chem comp atom.pdbx ordinal: 17
chem comp atom.type symbol: H

H13,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: H13
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 3.0044
chem comp atom.drawing 2d coord y: -0.7249
chem comp atom.pdbx ordinal: 18
chem comp atom.type symbol: H

H14,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: H14
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 3.8015
chem comp atom.drawing 2d coord y: -0.7249
chem comp atom.pdbx ordinal: 19
chem comp atom.type symbol: H

H21,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: H21
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 3.7321
chem comp atom.drawing 2d coord y: 1.5600
chem comp atom.pdbx ordinal: 20
chem comp atom.type symbol: H

H18,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: H18
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 8.2700
chem comp atom.drawing 2d coord y: -0.0600
chem comp atom.pdbx ordinal: 21
chem comp atom.type symbol: H

H19,1,bmse000068
type: chem comp atom
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reference to entry: bmse000068
chem comp atom.atom id: H19
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000068
chem comp atom.drawing 2d coord x: 2.0000
chem comp atom.drawing 2d coord y: -0.0600
chem comp atom.pdbx ordinal: 22
chem comp atom.type symbol: H

1,bmse000068,1
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 1
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C3
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,2
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 2
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C4
chem comp bond.type: covalent
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1,bmse000068,3
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 3
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: O10
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,4
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 4
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H17
chem comp bond.type: covalent
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1,bmse000068,5
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 5
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C1
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,6
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 6
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: O8
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,7
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 7
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H15
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,8
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 8
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C2
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,9
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 9
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: O9
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,10
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 10
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H16
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,11
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 11
chem comp bond.atom id 1: O10
chem comp bond.atom id 2: H22
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,12
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 12
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O6
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,13
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 13
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H11
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,14
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 14
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H12
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,15
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 15
chem comp bond.atom id 1: O8
chem comp bond.atom id 2: H20
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,16
type: chem comp bond
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chem comp bond.comp id: 1
chem comp bond.entry id: bmse000068
chem comp bond.id: 16
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: O7
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,17
type: chem comp bond
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chem comp bond.comp id: 1
chem comp bond.entry id: bmse000068
chem comp bond.id: 17
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H13
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,18
type: chem comp bond
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chem comp bond.comp id: 1
chem comp bond.entry id: bmse000068
chem comp bond.id: 18
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H14
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,19
type: chem comp bond
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chem comp bond.entry id: bmse000068
chem comp bond.id: 19
chem comp bond.atom id 1: O9
chem comp bond.atom id 2: H21
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,20
type: chem comp bond
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chem comp bond.comp id: 1
chem comp bond.entry id: bmse000068
chem comp bond.id: 20
chem comp bond.atom id 1: O6
chem comp bond.atom id 2: H18
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000068,21
type: chem comp bond
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chem comp bond.comp id: 1
chem comp bond.entry id: bmse000068
chem comp bond.id: 21
chem comp bond.atom id 1: O7
chem comp bond.atom id 2: H19
chem comp bond.type: covalent
chem comp bond.value order: SING

1,1,bmse000068
type: chem comp citation
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chem comp citation.citation id: 1
chem comp citation.comp id: 1
chem comp citation.entry id: bmse000068
chem comp citation.citation label: citation_1

1,bmse000068,L-Arabitol,abbreviation
type: chem comp common name
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chem comp common name.comp id: 1
chem comp common name.entry id: bmse000068
chem comp common name.name: L-Arabitol
chem comp common name.type: abbreviation

1,bmse000068,L-Arabinitol,abbreviation
type: chem comp common name
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chem comp common name.comp id: 1
chem comp common name.entry id: bmse000068
chem comp common name.name: L-Arabinitol
chem comp common name.type: abbreviation

1,bmse000068,L-Arabinol,abbreviation
type: chem comp common name
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chem comp common name.comp id: 1
chem comp common name.entry id: bmse000068
chem comp common name.name: L-Arabinol
chem comp common name.type: abbreviation

1,bmse000068,L-Lyxitol,abbreviation
type: chem comp common name
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chem comp common name.comp id: 1
chem comp common name.entry id: bmse000068
chem comp common name.name: L-Lyxitol
chem comp common name.type: abbreviation

85164914,1,PubChem,bmse000068
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chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000068
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: L-(-) Arabitol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/85164914

urn:miriam:pubchem.substance:85164914

3814,1,PubChem,bmse000068
type: chem comp db link
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chem comp db link.accession code: 3814
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000068
chem comp db link.accession code type: sid
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chem comp db link.entry mol name: L-(-) Arabitol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/3814

urn:miriam:pubchem.substance:3814

439255,1,PubChem,bmse000068
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chem comp db link.accession code: 439255
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000068
chem comp db link.accession code type: cid
chem comp db link.author supplied: no
chem comp db link.entry mol name: L-(-) Arabitol
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info:pubchem.compound/439255

urn:miriam:pubchem.compound:439255

C00532,1,KEGG,bmse000068
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chem comp db link.accession code: C00532
chem comp db link.comp id: 1
chem comp db link.database code: KEGG
chem comp db link.entry id: bmse000068
chem comp db link.accession code type: compound ID
chem comp db link.author supplied: no
chem comp db link.entry mol name: L-(-) Arabitol
chem comp db link.entry relation type: matching entry

7643-75-6,1,CAS Registry,bmse000068
type: chem comp db link
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chem comp db link.accession code: 7643-75-6
chem comp db link.comp id: 1
chem comp db link.database code: CAS Registry
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chem comp db link.accession code type: registry number
chem comp db link.author supplied: no
chem comp db link.entry mol name: L-(-) Arabitol
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18403,1,CHEBI,bmse000068
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chem comp db link.accession code: 18403
chem comp db link.comp id: 1
chem comp db link.database code: CHEBI
chem comp db link.entry id: bmse000068
chem comp db link.author supplied: no
chem comp db link.entry mol name: L-(-) Arabitol
chem comp db link.entry relation type: matching entry

s1,bmse000068,na,na,INCHI
type: chem comp descriptor
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chem comp descriptor.comp id: 1
chem comp descriptor.descriptor: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1
chem comp descriptor.entry id: bmse000068
chem comp descriptor.program: na
chem comp descriptor.program version: na
chem comp descriptor.type: INCHI

s1,bmse000068,na,3.003,INCHI
type: chem comp descriptor
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chem comp descriptor.comp id: 1
chem comp descriptor.descriptor: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1
chem comp descriptor.entry id: bmse000068
chem comp descriptor.program: na
chem comp descriptor.program version: 3.003
chem comp descriptor.type: INCHI

1,bmse000068,C((CaaH)(C((CaH)(CO)O)O)O)O,isomeric
type: chem comp smiles
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chem comp smiles.comp id: 1
chem comp smiles.entry id: bmse000068
chem comp smiles.string: C([C@@H](C([C@H](CO)O)O)O)O
chem comp smiles.type: isomeric

1,bmse000068,C(C(C(C(CO)O)O)O)O,canonical
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chem comp smiles.comp id: 1
chem comp smiles.entry id: bmse000068
chem comp smiles.string: C(C(C(C(CO)O)O)O)O
chem comp smiles.type: canonical

1,bmse000068,IUPAC
type: chem comp systematic name
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chem comp systematic name.comp id: 1
chem comp systematic name.entry id: bmse000068
chem comp systematic name.naming system: IUPAC
chem comp systematic name.name: (2S,4S)-pentane-1,2,3,4,5-pentol

1,bmse000068,CAS name
type: chem comp systematic name
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chem comp systematic name.comp id: 1
chem comp systematic name.entry id: bmse000068
chem comp systematic name.naming system: CAS name
chem comp systematic name.name: (2S,4S)-pentane-1,2,3,4,5-pentol

1,bmse000068,1
type: chem shift experiment
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chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000068
chem shift experiment.experiment id: 1
chem shift experiment.experiment name: 1D 1H
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bmse000068,17
type: release
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
release.entry id: bmse000068
release.release number: 17
release.author: BMRB
release.date: 2011-07-07Z
release.detail: Added or updated data for 1H at 0.5 and 2mM
release.submission date: 2006-02-22Z
release.type: update

bmse000068,18
type: release
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
release.entry id: bmse000068
release.release number: 18
release.author: BMRB
release.date: 2011-09-08Z
release.detail: Brought up to date with latest Dictionary
release.submission date: 2006-02-22Z
release.type: update

bmse000068,19
type: release
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
release.entry id: bmse000068
release.release number: 19
release.author: BMRB
release.date: 2011-12-07Z
release.detail: Changing chemcomp name from L-(-) arabitol for database consistency
release.submission date: 2006-02-22Z
release.type: update

bmse000068,20
type: release
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
release.entry id: bmse000068
release.release number: 20
release.author: BMRB
release.date: 2011-12-13Z
release.detail: Set Assembly.Name to match Chem_comp.name
release.submission date: 2006-02-22Z
release.type: update

bmse000068,21
type: release
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
release.entry id: bmse000068
release.release number: 21
release.author: BMRB
release.date: 2012-09-12Z
release.detail: Added PubChem SID 85164914 to database loop
release.submission date: 2006-02-22Z
release.type: update

bmse000068,22
type: release
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
release.entry id: bmse000068
release.release number: 22
release.author: BMRB
release.date: 2012-09-17Z
release.detail: Fixed bad reference concentrations in sample loops
release.submission date: 2006-02-22Z
release.type: update

bmse000068,23
type: release
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
release.entry id: bmse000068
release.release number: 23
release.author: BMRB
release.date: 2012-10-16Z
release.detail: Set all _Chem_comp_SMILES Types to lower case
release.submission date: 2006-02-22Z
release.type: update

bmse000068,24
type: release
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
release.entry id: bmse000068
release.release number: 24
release.author: BMRB
release.date: 2013-03-25Z
release.detail: Added Correct spectrometer info for '2D [1H,13C]-HSQC SW small'
release.submission date: 2006-02-22Z
release.type: update

bmse000068,25
type: release
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
release.entry id: bmse000068
release.release number: 25
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

bmse000068,26
type: release
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
release.entry id: bmse000068
release.release number: 26
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

bmse000068,1
type: sample
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
sample.entry id: bmse000068
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

bmse000068,2
type: sample
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
sample.entry id: bmse000068
sample.id: 2
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_2
sample.type: solution

bmse000068,3
type: sample
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
sample.entry id: bmse000068
sample.id: 3
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_3
sample.type: solution

bmse000068,1,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
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_arabitol
sample component.isotopic labeling: natural abundance
sample component.mol common name: L-arabitol
sample component.type: Solute
sample component.vendor: sigma
sample component.vendor product name: L-arabitol

bmse000068,2,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: D2O
sample component.type: Solvent

bmse000068,3,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 50
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: sodium phosphate
sample component.type: Buffer

bmse000068,4,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 4
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 500
sample component.concentration val units: uM
sample component.entity id: 0
sample component.mol common name: sodium azide
sample component.type: Cytocide

bmse000068,5,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 5
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 0.1
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: DSS
sample component.type: Reference

bmse000068,6,2
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 6
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 0.5
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: L_arabitol
sample component.isotopic labeling: natural abundance
sample component.mol common name: L-arabitol
sample component.type: Solute
sample component.vendor: sigma
sample component.vendor product name: L-arabitol

bmse000068,7,2
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 7
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: D2O
sample component.type: Solvent

bmse000068,8,2
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 8
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 50
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: sodium phosphate
sample component.type: Buffer

bmse000068,9,2
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 9
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 500
sample component.concentration val units: uM
sample component.entity id: 0
sample component.mol common name: sodium azide
sample component.type: Cytocide

bmse000068,10,2
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 10
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 0.0005
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: DSS
sample component.type: Reference

bmse000068,11,3
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 11
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 2.0
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: L_arabitol
sample component.isotopic labeling: natural abundance
sample component.mol common name: L-arabitol
sample component.type: Solute
sample component.vendor: sigma
sample component.vendor product name: L-arabitol

bmse000068,12,3
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 12
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: D2O
sample component.type: Solvent

bmse000068,13,3
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 13
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 50
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: sodium phosphate
sample component.type: Buffer

bmse000068,14,3
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 14
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 500
sample component.concentration val units: uM
sample component.entity id: 0
sample component.mol common name: sodium azide
sample component.type: Cytocide

bmse000068,15,3
type: sample component
of datablock: info:bmrb.metabolomics/bmse000068
sample component.entry id: bmse000068
sample component.id: 15
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 0.002
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: DSS
sample component.type: Reference

bmse000068,1
type: sample condition list
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
sample condition list.entry id: bmse000068
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

bmse000068,1,pH
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse000068
sample condition variable.entry id: bmse000068
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 7.4
sample condition variable.val units: pH

bmse000068,1,temperature
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse000068
sample condition variable.entry id: bmse000068
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val units: K

bmse000068,1
type: software
of datablock: info:bmrb.metabolomics/bmse000068
reference to entry: bmse000068
software.entry id: bmse000068
software.id: 1
software.name: TopSpin
software.sf category: software
software.sf framecode: software_1
software.version: 2.1

H,bmse000068,1,1,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000068
spectral dim.atom type: H
spectral dim.entry id: bmse000068
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,bmse000068,2,2,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000068
spectral dim.atom type: C
spectral dim.entry id: bmse000068
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

C,bmse000068,3,3,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000068
spectral dim.atom type: C
spectral dim.entry id: bmse000068
spectral dim.id: 3
spectral dim.spectral peak list id: 3
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 29761.90

C,bmse000068,4,4,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000068
spectral dim.atom type: C
spectral dim.entry id: bmse000068
spectral dim.id: 4
spectral dim.spectral peak list id: 4
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 29761.90

H,bmse000068,5,5,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000068
spectral dim.atom type: H
spectral dim.entry id: bmse000068
spectral dim.id: 5
spectral dim.spectral peak list id: 5
spectral dim.spectral region: Full H
spectral dim.atom isotope number: 1
spectral dim.sweep width: 6493.506

C,bmse000068,6,5,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000068
spectral dim.atom type: C
spectral dim.entry id: bmse000068
spectral dim.id: 6
spectral dim.spectral peak list id: 5
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 18854.05

bmse000068,1,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 1
spectral transition.spectral peak list id: 1

bmse000068,2,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 2
spectral transition.spectral peak list id: 1

bmse000068,3,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 3
spectral transition.spectral peak list id: 1

bmse000068,4,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 4
spectral transition.spectral peak list id: 1

bmse000068,5,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 5
spectral transition.spectral peak list id: 1

bmse000068,6,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 6
spectral transition.spectral peak list id: 1

bmse000068,7,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 7
spectral transition.spectral peak list id: 1

bmse000068,8,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 8
spectral transition.spectral peak list id: 1

bmse000068,9,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 9
spectral transition.spectral peak list id: 1

bmse000068,10,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 10
spectral transition.spectral peak list id: 1

bmse000068,11,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 11
spectral transition.spectral peak list id: 1

bmse000068,12,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 12
spectral transition.spectral peak list id: 1

bmse000068,13,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 13
spectral transition.spectral peak list id: 1

bmse000068,14,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 14
spectral transition.spectral peak list id: 1

bmse000068,15,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 15
spectral transition.spectral peak list id: 1

bmse000068,16,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 16
spectral transition.spectral peak list id: 1

bmse000068,17,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 17
spectral transition.spectral peak list id: 1

bmse000068,18,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
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spectral transition.spectral peak list id: 1

bmse000068,19,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 19
spectral transition.spectral peak list id: 1

bmse000068,20,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
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spectral transition.spectral peak list id: 1

bmse000068,21,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 21
spectral transition.spectral peak list id: 1

bmse000068,22,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 22
spectral transition.spectral peak list id: 1

bmse000068,23,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 23
spectral transition.spectral peak list id: 1

bmse000068,24,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 24
spectral transition.spectral peak list id: 1

bmse000068,25,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 25
spectral transition.spectral peak list id: 2

bmse000068,26,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 26
spectral transition.spectral peak list id: 2

bmse000068,27,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 27
spectral transition.spectral peak list id: 2

bmse000068,28,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 28
spectral transition.spectral peak list id: 2

bmse000068,29,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition.entry id: bmse000068
spectral transition.id: 29
spectral transition.spectral peak list id: 2

bmse000068,1,1,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.939

bmse000068,1,1,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.936

bmse000068,1,1,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.924

bmse000068,1,1,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.913

bmse000068,1,1,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.911

bmse000068,1,1,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.845

bmse000068,1,1,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.839

bmse000068,1,1,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.821

bmse000068,1,1,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.816

bmse000068,1,1,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.760

bmse000068,1,1,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.754

bmse000068,1,1,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.742

bmse000068,1,1,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.731

bmse000068,1,1,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.725

bmse000068,1,1,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.682

bmse000068,1,1,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.670

bmse000068,1,1,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.659

bmse000068,1,1,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.655

bmse000068,1,1,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.642

bmse000068,1,1,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.629

bmse000068,1,1,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.571

bmse000068,1,1,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.567

bmse000068,1,1,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.553

bmse000068,1,1,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 3.551

bmse000068,1,2,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 73.632

bmse000068,1,2,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 73.174

bmse000068,1,2,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 72.992

bmse000068,1,2,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 65.780

bmse000068,1,2,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition char.entry id: bmse000068
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: 65.704

bmse000068,12.307,1,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 12.307
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 1
spectral transition general char.measurement method: height

bmse000068,12.959,1,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 12.959
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 2
spectral transition general char.measurement method: height

bmse000068,26.719,1,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 26.719
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 3
spectral transition general char.measurement method: height

bmse000068,15.491,1,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 15.491
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 4
spectral transition general char.measurement method: height

bmse000068,14.872,1,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 14.872
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 5
spectral transition general char.measurement method: height

bmse000068,22.936,1,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 22.936
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 6
spectral transition general char.measurement method: height

bmse000068,25.668,1,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 25.668
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 7
spectral transition general char.measurement method: height

bmse000068,30.513,1,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 30.513
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 8
spectral transition general char.measurement method: height

bmse000068,33.601,1,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 33.601
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 9
spectral transition general char.measurement method: height

bmse000068,10.258,1,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 10.258
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 10
spectral transition general char.measurement method: height

bmse000068,8.843,1,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 8.843
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 11
spectral transition general char.measurement method: height

bmse000068,21.981,1,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 21.981
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 12
spectral transition general char.measurement method: height

bmse000068,15.802,1,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 15.802
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 13
spectral transition general char.measurement method: height

bmse000068,14.588,1,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 14.588
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 14
spectral transition general char.measurement method: height

bmse000068,7.167,1,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 7.167
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 15
spectral transition general char.measurement method: height

bmse000068,99.875,1,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 99.875
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 16
spectral transition general char.measurement method: height

bmse000068,61.804,1,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 61.804
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 17
spectral transition general char.measurement method: height

bmse000068,68.381,1,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 68.381
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 18
spectral transition general char.measurement method: height

bmse000068,27.438,1,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 27.438
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 19
spectral transition general char.measurement method: height

bmse000068,21.752,1,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 21.752
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 20
spectral transition general char.measurement method: height

bmse000068,30.459,1,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 30.459
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 21
spectral transition general char.measurement method: height

bmse000068,30.062,1,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 30.062
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 22
spectral transition general char.measurement method: height

bmse000068,25.316,1,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 25.316
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 23
spectral transition general char.measurement method: height

bmse000068,25.024,1,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 25.024
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 24
spectral transition general char.measurement method: height

bmse000068,78.789,2,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 78.789
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 1
spectral transition general char.measurement method: height

bmse000068,114.590,2,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 114.590
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 2
spectral transition general char.measurement method: height

bmse000068,111.276,2,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 111.276
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 3
spectral transition general char.measurement method: height

bmse000068,104.323,2,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 104.323
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 4
spectral transition general char.measurement method: height

bmse000068,99.194,2,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000068
spectral transition general char.entry id: bmse000068
spectral transition general char.intensity val: 99.194
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 5
spectral transition general char.measurement method: height

bmse000068,1,Collection
type: task
of datablock: info:bmrb.metabolomics/bmse000068
task.entry id: bmse000068
task.software id: 1
task.task: Collection

bmse000068,1,Processing
type: task
of datablock: info:bmrb.metabolomics/bmse000068
task.entry id: bmse000068
task.software id: 1
task.task: Processing

bmse000068,1,Data analysis
type: task
of datablock: info:bmrb.metabolomics/bmse000068
task.entry id: bmse000068
task.software id: 1
task.task: Data analysis

bmse000068,1,Peak picking
type: task
of datablock: info:bmrb.metabolomics/bmse000068
task.entry id: bmse000068
task.software id: 1
task.task: Peak picking

bmse000068,Bruker Biospin,1
type: vendor
of datablock: info:bmrb.metabolomics/bmse000068
vendor.entry id: bmse000068
vendor.name: Bruker Biospin
vendor.software id: 1