CHEBI:4999 - fenchone

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ChEBI Name fenchone
ChEBI ID CHEBI:4999
Definition A carbobicyclic compound that is fenchane in which the hydrogens at position 2 are replaced by an oxo group. It is a component of essential oil from fennel (Foeniculum vulgare).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H16O
Net Charge 0
Average Mass 152.23344
Monoisotopic Mass 152.120
InChI InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
InChIKey LHXDLQBQYFFVNW-UHFFFAOYSA-N
SMILES CC1(C)C2CCC(C)(C2)C1=O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing fenchone (CHEBI:4999) has role plant metabolite (CHEBI:76924)
fenchone (CHEBI:4999) is a carbobicyclic compound (CHEBI:36785)
fenchone (CHEBI:4999) is a cyclic terpene ketone (CHEBI:36130)
fenchone (CHEBI:4999) is a fenchane monoterpenoid (CHEBI:36739)
Incoming (1R,4S)-fenchone (CHEBI:36612) is a fenchone (CHEBI:4999)
(1S,4R)-fenchone (CHEBI:165) is a fenchone (CHEBI:4999)
IUPAC Name
fenchan-2-one
Synonyms Sources
1,3,3-trimethyl-2-norbornanone ChemIDplus
1,3,3-trimethyl-2-norcamphanone ChemIDplus
1,3,3-trimethylbicyclo[2.2.1]heptan-2-one IUPAC
Fenchone KEGG COMPOUND
Manual Xrefs Databases
C00003045 KNApSAcK
C00011027 KNApSAcK
C09859 KEGG COMPOUND
C11387 KEGG COMPOUND
Fenchone Wikipedia
LMPR0102120016 LIPID MAPS
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Registry Numbers Types Sources
1195-79-5 CAS Registry Number KEGG COMPOUND
1195-79-5 CAS Registry Number ChemIDplus
1195-79-5 CAS Registry Number NIST Chemistry WebBook
1861492 Reaxys Registry Number Reaxys
7787-20-4 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
22616953 PubMed citation Europe PMC
23870987 PubMed citation Europe PMC
Last Modified
28 July 2014