EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212307 - Phomapyrone E

ChEBI IDCHEBI:212307
ChEBI NamePhomapyrone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESCOc1cc(/C(C)=C/[C@H](C)C(C)=O)oc(=O)c1C
InChIInChI=1S/C14H18O4/c1-8(11(4)15)6-9(2)12-7-13(17-5)10(3)14(16)18-12/h6-8H,1-5H3/b9-6+/t8-/m0/s1
InChIKeyMOPXMSJFYITBHO-CYXIBPNKSA-N
Species of MetaboliteComponentSourceComments
Plenodomus lingam (ncbitaxon:5022) - PubMed (15649514)
ChEBI Ontology
Outgoing Relation(s)
Phomapyrone E (CHEBI:212307) is a pyranone (CHEBI:37963)
IUPAC Name 
4-methoxy-3-methyl-6-[(E)-4-methyl-5-oxohex-2-en-2-yl]pyran-2-one
Manual XrefsDatabases
10193180ChemSpider