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CHEBI:177577 - Fenestrel

ChEBI IDCHEBI:177577
ChEBI NameFenestrel
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O2
Net Charge0
Average Mass244.334
Monoisotopic Mass244.14633
SMILESCCC1C(c2ccccc2)=CCC(C(=O)O)C1C
InChIInChI=1S/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)
InChIKeyCLMFEXDZPBGYQQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Fenestrel (CHEBI:177577) is a benzenes (CHEBI:22712)
IUPAC Name 
5-ethyl-6-methyl-4-phenylcyclohex-3-ene-1-carboxylic acid
Manual XrefsDatabases
22786ChemSpider
D04146KEGG DRUG
Registry NumbersSources
CAS:7698-97-7ChemIDplus