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CHEBI:215738 - Infectopyrone A

ChEBI IDCHEBI:215738
ChEBI NameInfectopyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O6
Net Charge0
Average Mass280.276
Monoisotopic Mass280.09469
SMILESCOc1cc(C(C)=CC(C)=CC(=O)O)oc(=O)c1CO
InChIInChI=1S/C14H16O6/c1-8(5-13(16)17)4-9(2)11-6-12(19-3)10(7-15)14(18)20-11/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyMEDQAXZQSRVBQZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Stemphyliumspecies 33231 (ncbitaxon:1418481) - PubMed (24549154)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Infectopyrone A (CHEBI:215738) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
5-[5-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]-3-methylhexa-2,4-dienoic acid