Carneic acid J (CHEBI:224407)

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CHEBI:224407 - Carneic acid J

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ChEBI ID	CHEBI:224407
ChEBI Name	Carneic acid J
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Submitter	MetaboLights
Downloads	Molfile

Formula	C21H30O3
Net Charge	0
Average Mass	330.468
Monoisotopic Mass	330.21949
SMILES	CC(=CCO)[C@@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)O
InChI	InChI=1S/C21H30O3/c1-14-7-6-8-17-13-16(3)20(15(2)11-12-22)18(21(14)17)9-4-5-10-19(23)24/h4-5,9-11,13-14,17-18,20-22H,6-8,12H2,1-3H3,(H,23,24)/b9-4+,10-5+,15-11?/t14-,17-,18+,20+,21+/m0/s1
InChIKey	ZAVTXWWFRUFGIQ-LZGZPVOOSA-N

Species of Metabolite	Component	Source	Comments
Phomopsis (ncbitaxon:34399)	-	PubMed (32686414)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Carneic acid J (CHEBI:224407) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E)-5-[(1S,2S,4aR,8S,8aR)-2-(4-hydroxybut-2-en-2-yl)-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid