CHEBI:177577 - Fenestrel

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fenestrel
ChEBI ID CHEBI:177577
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H20O2
Net Charge 0
Average Mass 244.334
Monoisotopic Mass 244.14633
InChI InChI=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)
InChIKey CLMFEXDZPBGYQQ-UHFFFAOYSA-N
SMILES OC(=O)C1C(C(C(=CC1)C2=CC=CC=C2)CC)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Fenestrel (CHEBI:177577) is a benzenes (CHEBI:22712)
IUPAC Name
5-ethyl-6-methyl-4-phenylcyclohex-3-ene-1-carboxylic acid
Manual Xrefs Databases
22786 ChemSpider
D04146 KEGG DRUG
View more database links
Registry Number Type Source
7698-97-7 CAS Registry Number ChemIDplus