EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:197911 - Monaphilone C

ChEBI IDCHEBI:197911
ChEBI NameMonaphilone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCCC(=O)C[C@@H]1CC(CC(=O)CCC)=C(C)C(=O)[C@]1(C)O
InChIInChI=1S/C20H32O4/c1-5-7-8-10-18(22)13-16-11-15(12-17(21)9-6-2)14(3)19(23)20(16,4)24/h16,24H,5-13H2,1-4H3/t16-,20+/m0/s1
InChIKeyCWZAHTMXQKLSBE-OXJNMPFZSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - PubMed (20597545)
ChEBI Ontology
Outgoing Relation(s)
Monaphilone C (CHEBI:197911) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(5S,6R)-6-hydroxy-2,6-dimethyl-5-(2-oxoheptyl)-3-(2-oxopentyl)cyclohex-2-en-1-one
Manual XrefsDatabases
78440698ChemSpider