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CHEBI:221292 - Infectopyrone B

ChEBI IDCHEBI:221292
ChEBI NameInfectopyrone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O6
Net Charge0
Average Mass294.303
Monoisotopic Mass294.11034
SMILESCOCc1c(OC)cc(C(C)=CC(C)=CC(=O)O)oc1=O
InChIInChI=1S/C15H18O6/c1-9(6-14(16)17)5-10(2)12-7-13(20-4)11(8-19-3)15(18)21-12/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyAOQHUVRBRIOYHU-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 B (CHEBI:221292) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
5-[4-methoxy-5-(methoxymethyl)-6-oxopyran-2-yl]-3-methylhexa-2,4-dienoic acid