EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185689 - Ceroptene

ChEBI IDCHEBI:185689
ChEBI NameCeroptene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O4
Net Charge0
Average Mass298.338
Monoisotopic Mass298.12051
SMILESCOC1=CC(=O)/C(=C(O)\C=C\c2ccccc2)C(=O)C1(C)C
InChIInChI=1S/C18H18O4/c1-18(2)15(22-3)11-14(20)16(17(18)21)13(19)10-9-12-7-5-4-6-8-12/h4-11,19H,1-3H3/b10-9+,16-13-
InChIKeyJSBRVQBSSZUGDW-ZDHWLGKOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Ceroptene (CHEBI:185689) is a quinomethanes (CHEBI:52404)
IUPAC Name 
(2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-6,6-dimethylcyclohex-4-ene-1,3-dione
Manual XrefsDatabases
LMPK12120416LIPID MAPS