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CHEBI:212433 - Xerulinic acid

ChEBI IDCHEBI:212433
ChEBI NameXerulinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H12O4
Net Charge0
Average Mass292.290
Monoisotopic Mass292.07356
SMILESO=C(O)C=CC#CC#CC=CC=CC=CC=C1C=CC(=O)O1
InChIInChI=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)
InChIKeyPINXAKGQRZGYOZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Xerula melanotricha (ncbitaxon:302556) - PubMed (2272917)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
28681405ChemSpider