Xerulinic acid (CHEBI:212433)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Xerulinic acid

ChEBI ID	CHEBI:212433

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H12O4

Net Charge

Average Mass

292.290

Monoisotopic Mass

292.07356

InChI

InChI=1S/C18H12O4/c19-17(20)13-11-9-7-5-3-1-2-4-6-8-10-12-16-14-15-18(21)22-16/h1-2,4,6,8,10-15H,(H,19,20)

InChIKey

PINXAKGQRZGYOZ-UHFFFAOYSA-N

SMILES

O=C1OC(=CC=CC=CC=CC#CC#CC=CC(=O)O)C=C1

Metabolite of Species	Details
Xerula melanotricha (NCBI:txid302556)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Xerulinic acid (CHEBI:212433) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

14-(5-oxouran-2-ylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid