Carneic acid E (CHEBI:224382)

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CHEBI:224382 - Carneic acid E

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ChEBI ID	CHEBI:224382
ChEBI Name	Carneic acid E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H32O4
Net Charge	0
Average Mass	372.505
Monoisotopic Mass	372.23006
SMILES	CC=C(C)[C@@H]1C(C)=C[C@@H]2C[C@@H](OC(C)=O)C[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)O
InChI	InChI=1S/C23H32O4/c1-6-14(2)22-15(3)11-18-13-19(27-17(5)24)12-16(4)23(18)20(22)9-7-8-10-21(25)26/h6-11,16,18-20,22-23H,12-13H2,1-5H3,(H,25,26)/b9-7+,10-8+,14-6?/t16-,18+,19-,20+,22+,23+/m0/s1
InChIKey	YFHWZRPKJZWOLY-IGTPOFDWSA-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 E (CHEBI:224382) is a medium-chain fatty acid (CHEBI:59554)

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