(+)-(S)-1-methylabscisic-6-acid (CHEBI:227920)

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CHEBI:227920 - (+)-(S)-1-methylabscisic-6-acid

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ChEBI ID	CHEBI:227920
ChEBI Name	(+)-(S)-1-methylabscisic-6-acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H20O4
Net Charge	0
Average Mass	264.321
Monoisotopic Mass	264.13616
SMILES	C/C=C(/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C)C(=O)O
InChI	InChI=1S/C15H20O4/c1-5-11(13(17)18)6-7-15(19)10(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b7-6+,11-5-/t15-/m1/s1
InChIKey	AVQIBCQILSKADR-QIGGMVBPSA-N

Species of Metabolite	Component	Source	Comments
Diaporthe amygdali (ncbitaxon:1214568)	-	PubMed (26181224)

ChEBI Ontology

Outgoing Relation(s)
	(+)-(S)-1-methylabscisic-6-acid (CHEBI:227920) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(Z)-2-[(E)-2-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]ethenyl]but-2-enoic acid

Manual Xrefs	Databases
78438387	ChemSpider