EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215387 - Cadopherone A

ChEBI IDCHEBI:215387
ChEBI NameCadopherone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O3
Net Charge0
Average Mass224.300
Monoisotopic Mass224.14124
SMILESCCC(C)C1=C2C(=O)O[C@@H](C)[C@H](C)[C@@H]2CO1
InChIInChI=1S/C13H20O3/c1-5-7(2)12-11-10(6-15-12)8(3)9(4)16-13(11)14/h7-10H,5-6H2,1-4H3/t7?,8-,9-,10-/m0/s1
InChIKeyOYRLEHIYCBZMJA-CFEUDACVSA-N
Species of MetaboliteComponentSourceComments
Cadophora (ncbitaxon:210567) - PubMed (29366851)
ChEBI Ontology
Outgoing Relation(s)
Cadopherone A (CHEBI:215387) is a furopyran (CHEBI:74927)
IUPAC Name 
(6S,7R,7aS)-3-butan-2-yl-6,7-dimethyl-1,6,7,7a-tetrahydrouro[3,4-c]pyran-4-one
Manual XrefsDatabases
78442261ChemSpider