(-)-(2Z,4E)-4'-hydroxy-y-ionylideneacetic acid (CHEBI:227481)

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CHEBI:227481 - (-)-(2Z,4E)-4'-hydroxy-y-ionylideneacetic acid

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ChEBI ID	CHEBI:227481
ChEBI Name	(-)-(2Z,4E)-4'-hydroxy-y-ionylideneacetic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H22O3
Net Charge	0
Average Mass	250.338
Monoisotopic Mass	250.15689
SMILES	C=C1C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C\C(=O)O
InChI	InChI=1S/C15H22O3/c1-10(7-14(17)18)5-6-13-11(2)8-12(16)9-15(13,3)4/h5-7,12-13,16H,2,8-9H2,1,3-4H3,(H,17,18)/b6-5+,10-7-/t12-,13-/m0/s1
InChIKey	KACNZZDTDRMFPX-YVBRKTJCSA-N

Species of Metabolite	Component	Source	Comments
Pseudocercospora cruenta (ncbitaxon:179343)	-	DOI (10.1271/bbb1961.49.245)

ChEBI Ontology

Outgoing Relation(s)
	(-)-(2Z,4E)-4'-hydroxy-y-ionylideneacetic acid (CHEBI:227481) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(2Z,4E)-5-[(1R,4R)-4-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoic acid

Manual Xrefs	Databases
78437835	ChemSpider