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CHEBI:165 - (1S,4R)-fenchone

ChEBI IDCHEBI:165
ChEBI Name(1S,4R)-fenchone
Stars
ASCII Name(1S,4R)-fenchone
DefinitionA fenchone that has 1S,4R stereochemistry. A colourless, oily liquid found in fennel oil, it is used in perfumery and as flavour in foods.
Secondary ChEBI IDCHEBI:63901
Last Modified10 March 2012
SubmitterKristian Axelsen
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+/m1/s1
InChIKeyLHXDLQBQYFFVNW-XCBNKYQSSA-N
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)
(1S,4R)-fenchone (CHEBI:165) is a fenchone (CHEBI:4999)
(1S,4R)-fenchone (CHEBI:165) is enantiomer of (1R,4S)-fenchone (CHEBI:36612)
Incoming Relation(s)
(1R,4S)-fenchone (CHEBI:36612) is enantiomer of (1S,4R)-fenchone (CHEBI:165)
IUPAC Name 
(1S,4R)-fenchan-2-one
Synonyms  Source
(1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-oneIUPAC
(1S,4R)-(+)-2-fenchanoneChEBI
(1S,4R)-2-fenchanoneChEBI
(1S,4R)-(+)-fenchan-2-oneChEBI
(1S,4R)-fenchan-2-oneChEBI
(1S,4R)-(+)-fenchoneChEBI
UniProt Name  Source
(1S,4R)-fenchoneUniProt
Manual XrefsDatabases
C11387KEGG COMPOUND
Registry NumbersSources
Reaxys:2206555Reaxys
CAS:4695-62-9ChemIDplus