EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201839 - Verticipyrone

Default Structure
ChEBI IDCHEBI:201839
ChEBI NameVerticipyrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILESCCCCCCCC/C(C)=C/Cc1oc(C(C)=O)c(C)c(=O)c1C
InChIInChI=1S/C21H32O3/c1-6-7-8-9-10-11-12-15(2)13-14-19-16(3)20(23)17(4)21(24-19)18(5)22/h13H,6-12,14H2,1-5H3/b15-13+
InChIKeyODHQMVZJZHOCFO-FYWRMAATSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - PubMed (17323645)
ChEBI Ontology
Outgoing Relation(s)
Verticipyrone (CHEBI:201839) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-acetyl-3,5-dimethyl-6-[(E)-3-methylundec-2-enyl]pyran-4-one
Manual XrefsDatabases
78434703ChemSpider