(+)-abscisic acid beta-D-glucopyranosyl ester (CHEBI:22151)

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CHEBI:22151 - (+)-abscisic acid β-D-glucopyranosyl ester

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ChEBI ID	CHEBI:22151
ChEBI Name	(+)-abscisic acid β-D-glucopyranosyl ester
Stars
ASCII Name	(+)-abscisic acid beta-D-glucopyranosyl ester
Definition	A (+)-abscisic acid D-glucopyranosyl ester that is derived from β-D-glucopyranose.
Last Modified	19 March 2015
Downloads	Molfile

Formula	C21H30O9
Net Charge	0
Average Mass	426.462
Monoisotopic Mass	426.18898
SMILES	CC1=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
InChI	InChI=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
InChIKey	HLVPIMVSSMJFPS-VTEUUMMASA-N

ChEBI Ontology

Outgoing Relation(s)
	(+)-abscisic acid β-D-glucopyranosyl ester (CHEBI:22151) has functional parent (+)-abscisic acid (CHEBI:2365)
	(+)-abscisic acid β-D-glucopyranosyl ester (CHEBI:22151) has functional parent β-D-glucose (CHEBI:15903)
	(+)-abscisic acid β-D-glucopyranosyl ester (CHEBI:22151) is a (+)-abscisic acid D-glucopyranosyl ester (CHEBI:62436)

IUPAC Name
1-O-{(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoyl}-β-D-glucopyranose

Synonyms	Source
abscisic acid 1'-O-β-glucoside	ChEBI
(+)-β-D-glucopyranosyl abscisate	ChEBI
(+)-abscisyl β-D-glucopyranoside	ChEBI
ABA-β-GE	ChEBI
(+)-S-ABA-β-GE	ChEBI
(+)-(S)-ABA-β-GE	ChEBI

UniProt Name	Source
β-D-glucopyranosyl cis-(+)-abscisate	UniProt

Manual Xrefs	Databases
C15970	KEGG COMPOUND

Registry Numbers	Sources
Reaxys:7394092	Reaxys

Citations