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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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
152.12012
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.
View more via ChEBI Ontology
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
(1
R
,4
S
)-fenchone (
CHEBI:36612
)
is a
fenchone (
CHEBI:4999
)
(1
S
,4
R
)-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
View more database links
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
Types
Sources
22616953
PubMed citation
Europe PMC
23870987
PubMed citation
Europe PMC
Last Modified
28 July 2014