Cylindropyrone A (CHEBI:215931)

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CHEBI:215931 - Cylindropyrone A

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ChEBI ID	CHEBI:215931
ChEBI Name	Cylindropyrone A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H24O5
Net Charge	0
Average Mass	344.407
Monoisotopic Mass	344.16237
SMILES	COc1cc(/C(C)=C/[C@@H](C)C/C=C/C=C/C=C/C(=O)O)oc(=O)c1C
InChI	InChI=1S/C20H24O5/c1-14(10-8-6-5-7-9-11-19(21)22)12-15(2)17-13-18(24-4)16(3)20(23)25-17/h5-9,11-14H,10H2,1-4H3,(H,21,22)/b7-5+,8-6+,11-9+,15-12+/t14-/m0/s1
InChIKey	KVKQQUOEVVLXNW-VIUKQFHRSA-N

Species of Metabolite	Component	Source	Comments
Cylindrocarpon (ncbitaxon:13474)	-	PubMed (29236361)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cylindropyrone A (CHEBI:215931) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(2E,4E,6E,10E)-11-(4-methoxy-5-methyl-6-oxopyran-2-yl)-9-methyldodeca-2,4,6,10-tetraenoic acid

Manual Xrefs	Databases
64853570	ChemSpider