Cuniculene 6A (CHEBI:212101)

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CHEBI:212101 - Cuniculene 6A

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ChEBI ID	CHEBI:212101
ChEBI Name	Cuniculene 6A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H32O4
Net Charge	0
Average Mass	348.483
Monoisotopic Mass	348.23006
SMILES	C=C(/C=C/C(C)C(O)CC(O)CC(=C)CC)C/C=C/C(=C)CC(=O)O
InChI	InChI=1S/C21H32O4/c1-6-15(2)12-19(22)14-20(23)18(5)11-10-16(3)8-7-9-17(4)13-21(24)25/h7,9-11,18-20,22-23H,2-4,6,8,12-14H2,1,5H3,(H,24,25)/b9-7+,11-10+
InChIKey	RHGLQKLCZHATTR-RJECPTDASA-N

Species of Metabolite	Component	Source	Comments
Aquimarinaspecies Aq78 (ncbitaxon:1191889)	-	PubMed (31308532)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cuniculene 6A (CHEBI:212101) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(4E,8E)-11,13-dihydroxy-10-methyl-3,7,15-trimethylideneheptadeca-4,8-dienoic acid

Manual Xrefs	Databases
88293799	ChemSpider