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CHEBI:203990 - Citreopyrone E

ChEBI IDCHEBI:203990
ChEBI NameCitreopyrone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O4
Net Charge0
Average Mass234.251
Monoisotopic Mass234.08921
SMILESCOc1cc(=O)oc(/C=C/C=C/C(C)=O)c1C
InChIInChI=1S/C13H14O4/c1-9(14)6-4-5-7-11-10(2)12(16-3)8-13(15)17-11/h4-8H,1-3H3/b6-4+,7-5+
InChIKeyQLXPXJKPGGUTOR-YDFGWWAZSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1246/cl.1997.33)
ChEBI Ontology
Outgoing Relation(s)
Citreopyrone E (CHEBI:203990) is a pyranone (CHEBI:37963)
IUPAC Name 
4-methoxy-5-methyl-6-[(1E,3E)-5-oxohexa-1,3-dienyl]pyran-2-one
Manual XrefsDatabases
8880180ChemSpider