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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:36612 - (1
R
,4
S
)-fenchone
Main
ChEBI Ontology
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ChEBI Name
(1
R
,4
S
)-fenchone
ChEBI ID
CHEBI:36612
ChEBI ASCII Name
(1R,4S)-fenchone
Definition
A fenchone that has (1
R
,4
S
)-stereochemistry. It is a constituent of the essential oils obtained from fennel.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H16O
Net Charge
0
Average Mass
152.23340
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/t7-,10+/m0/s1
InChIKey
LHXDLQBQYFFVNW-OIBJUYFYSA-N
SMILES
CC1(C)[C@H]2CC[C@](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.
(via
fenchone
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(1
R
,4
S
)-fenchone (
CHEBI:36612
)
has role
plant metabolite (
CHEBI:76924
)
(1
R
,4
S
)-fenchone (
CHEBI:36612
)
is a
fenchone (
CHEBI:4999
)
(1
R
,4
S
)-fenchone (
CHEBI:36612
)
is enantiomer of
(1
S
,4
R
)-fenchone (
CHEBI:165
)
Incoming
(1
S
,4
R
)-fenchone (
CHEBI:165
)
is enantiomer of
(1
R
,4
S
)-fenchone (
CHEBI:36612
)
IUPAC Name
(1
R
,4
S
)-fenchan-2-one
Synonyms
Sources
(−)-fenchone
ChEBI
(1
R
)-(−)-fenchone
ChEBI
(1
R
)-fenchone
ChEBI
(1
R
,4
S
)-(−)-fenchone
ChEBI
(1
R
,4
S
)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
IUPAC
Manual Xrefs
Databases
C09859
KEGG COMPOUND
HMDB0034985
HMDB
LMPR0102120031
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2042710
Reaxys Registry Number
Reaxys
7787-20-4
CAS Registry Number
ChemIDplus
Citation
Type
Source
24502057
PubMed citation
Europe PMC
Last Modified
04 March 2014