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CHEBI:20764 - 7'-hydroxyabscisic acid

ChEBI IDCHEBI:20764
ChEBI Name7'-hydroxyabscisic acid
Stars
DefinitionAn oxo monocarboxylic acid that is abscisic acid in which a hydroxymethyl group replaces the methyl substituent β- to the keto group.
Last Modified16 February 2011
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCC(=C/C(=O)O)/C=C/C1(O)C(CO)=CC(=O)CC1(C)C
InChIInChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-
InChIKeyZGHRCSAIMSBFLK-IGTFLHFFSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7'-hydroxyabscisic acid (CHEBI:20764) has functional parent 2-cis-abscisic acid (CHEBI:22152)
7'-hydroxyabscisic acid (CHEBI:20764) is a oxo monocarboxylic acid (CHEBI:35871)
7'-hydroxyabscisic acid (CHEBI:20764) is a primary alcohol (CHEBI:15734)
7'-hydroxyabscisic acid (CHEBI:20764) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2Z,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Synonym  Source
(±)-7'-hydroxyabscisic acidChEBI
Registry NumbersSources
Reaxys:4355109Reaxys