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CHEBI:133910 - 2-trans-abscisic acid D-glucosyl ester

ChEBI IDCHEBI:133910
ChEBI Name2-trans-abscisic acid D-glucosyl ester
Stars
ASCII Name2-trans-abscisic acid D-glucosyl ester
DefinitionAn enoate ester that results from the condensation of the carboxylic acid group of 2-trans-abscisic acid with the anomeric hydroxy group of D-glucopyranose.
Last Modified20 April 2017
SubmitterKeeva
DownloadsMolfile
FormulaC21H30O9
Net Charge0
Average Mass426.462
Monoisotopic Mass426.18898
SMILESCC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)=C/C(=O)OC1O[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-JGYDSPBFSA-N
Species of MetaboliteComponentSourceComments
Apis cerana (ncbitaxon:7461) - MetaboLights (MTBLS379)
Cistus albidus (ncbitaxon:335163) whole plant (BTO:0001461) PubMed (19167901)
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)
2-trans-abscisic acid D-glucosyl ester (CHEBI:133910) has functional parent D-glucopyranose (CHEBI:4167)
2-trans-abscisic acid D-glucosyl ester (CHEBI:133910) has functional parent 2-trans-abscisic acid (CHEBI:62426)
2-trans-abscisic acid D-glucosyl ester (CHEBI:133910) has role plant metabolite (CHEBI:76924)
2-trans-abscisic acid D-glucosyl ester (CHEBI:133910) is a O-acyl carbohydrate (CHEBI:52782)
2-trans-abscisic acid D-glucosyl ester (CHEBI:133910) is a enoate ester (CHEBI:51702)
2-trans-abscisic acid D-glucosyl ester (CHEBI:133910) is a glucoside (CHEBI:24278)
Incoming Relation(s)
(S)-2-trans-abscisic acid D-glucopyranosyl ester (CHEBI:62438) is a 2-trans-abscisic acid D-glucosyl ester (CHEBI:133910)
IUPAC Name 
1-O-[(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoyl]-D-glucopyranose
Synonyms  Source
abscisic acid glucose esterChEBI
2-trans-abscisic acid D-glucopyranosyl esterChEBI
Manual XrefsDatabases
24534260ChemSpider
Citations