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CHEBI:4999 - fenchone

ChEBI IDCHEBI:4999
ChEBI Namefenchone
Stars
DefinitionA 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).
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESCC12CCC(C1)C(C)(C)C2=O
InChIInChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
InChIKeyLHXDLQBQYFFVNW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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  Source
FenchoneKEGG COMPOUND
1,3,3-trimethylbicyclo[2.2.1]heptan-2-oneIUPAC
1,3,3-trimethyl-2-norbornanoneChemIDplus
1,3,3-trimethyl-2-norcamphanoneChemIDplus
Manual XrefsDatabases
C09859KEGG COMPOUND
LMPR0102120016LIPID MAPS
FenchoneWikipedia
C00003045KNApSAcK
C11387KEGG COMPOUND
C00011027KNApSAcK
Registry NumbersSources
Reaxys:1861492Reaxys
CAS:1195-79-5KEGG COMPOUND
CAS:1195-79-5NIST Chemistry WebBook
CAS:1195-79-5ChemIDplus
CAS:7787-20-4KEGG COMPOUND
Citations