Carneic acid F (CHEBI:224387)

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CHEBI:224387 - Carneic acid F

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ChEBI ID	CHEBI:224387
ChEBI Name	Carneic acid F
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H28O3
Net Charge	0
Average Mass	328.452
Monoisotopic Mass	328.20384
SMILES	CC=C(C)[C@@H]1C(C)=C[C@@H]2CC(=O)C[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)O
InChI	InChI=1S/C21H28O3/c1-5-13(2)20-14(3)10-16-12-17(22)11-15(4)21(16)18(20)8-6-7-9-19(23)24/h5-10,15-16,18,20-21H,11-12H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5?/t15-,16+,18+,20+,21+/m0/s1
InChIKey	UQXHYVAHZNGJKF-PQYPEOJESA-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 F (CHEBI:224387) is a medium-chain fatty acid (CHEBI:59554)

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