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CHEBI:62437 - (S)-2-trans-abscisic acid β-D-glucopyranosyl ester

ChEBI IDCHEBI:62437
ChEBI Name(S)-2-trans-abscisic acid β-D-glucopyranosyl ester
Stars
ASCII Name(S)-2-trans-abscisic acid beta-D-glucopyranosyl ester
DefinitionAn (S)-2-trans-abscisic acid D-glucopyranosyl ester derived from β-D-glucopyranose.
Last Modified19 March 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H30O9
Net Charge0
Average Mass426.462
Monoisotopic Mass426.18898
SMILESCC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7+/t14-,16-,17+,18-,19+,21-/m1/s1
InChIKeyHLVPIMVSSMJFPS-CCXFUJSKSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(S)-2-trans-abscisic acid β-D-glucopyranosyl ester (CHEBI:62437) has functional parent (S)-2-trans-abscisic acid (CHEBI:18743)
(S)-2-trans-abscisic acid β-D-glucopyranosyl ester (CHEBI:62437) has functional parent β-D-glucose (CHEBI:15903)
(S)-2-trans-abscisic acid β-D-glucopyranosyl ester (CHEBI:62437) is a (S)-2-trans-abscisic acid D-glucopyranosyl ester (CHEBI:62438)
IUPAC Name 
1-O-{(2E,4S)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoyl}-β-D-glucopyranose
Synonyms  Source
2-trans-(+)-abscisic acid beta-D-glucopyranosyl esterChEBI
2-trans-(+)-ABA-β-GEChEBI
UniProt Name  Source
β-D-glucopyranosyl trans-(+)-abscisateUniProt
Citations