Carneic acid M (CHEBI:224356)

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CHEBI:224356 - Carneic acid M

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ChEBI ID	CHEBI:224356
ChEBI Name	Carneic acid M
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H32O5
Net Charge	0
Average Mass	388.504
Monoisotopic Mass	388.22497
SMILES	CC(=O)OCC=C(C)[C@@H]1C(C)=C[C@@H]2C[C@H](O)C[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)O
InChI	InChI=1S/C23H32O5/c1-14(9-10-28-17(4)24)22-15(2)11-18-13-19(25)12-16(3)23(18)20(22)7-5-6-8-21(26)27/h5-9,11,16,18-20,22-23,25H,10,12-13H2,1-4H3,(H,26,27)/b7-5+,8-6+,14-9?/t16-,18+,19+,20+,22+,23+/m0/s1
InChIKey	BHRXCOVVZIOUSQ-ONLBXHBWSA-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 M (CHEBI:224356) is a medium-chain fatty acid (CHEBI:59554)

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