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CHEBI:36612 - (1R,4S)-fenchone

ChEBI IDCHEBI:36612
ChEBI Name(1R,4S)-fenchone
Stars
ASCII Name(1R,4S)-fenchone
DefinitionA fenchone that has (1R,4S)-stereochemistry. It is a constituent of the essential oils obtained from fennel.
Last Modified4 March 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESCC1(C)C(=O)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
InChIKeyLHXDLQBQYFFVNW-OIBJUYFYSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
(1R,4S)-fenchone (CHEBI:36612) has role plant metabolite (CHEBI:76924)
(1R,4S)-fenchone (CHEBI:36612) is a fenchone (CHEBI:4999)
(1R,4S)-fenchone (CHEBI:36612) is enantiomer of (1S,4R)-fenchone (CHEBI:165)
Incoming Relation(s)
(1S,4R)-fenchone (CHEBI:165) is enantiomer of (1R,4S)-fenchone (CHEBI:36612)
IUPAC Name 
(1R,4S)-fenchan-2-one
Synonyms  Source
(1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-oneIUPAC
(1R,4S)-(−)-fenchoneChEBI
(−)-fenchoneChEBI
(1R)-fenchoneChEBI
(1R)-(−)-fenchoneChEBI
Manual XrefsDatabases
C09859KEGG COMPOUND
LMPR0102120031LIPID MAPS
HMDB0034985HMDB
Registry NumbersSources
Reaxys:2042710Reaxys
CAS:7787-20-4ChemIDplus
Citations