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

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ChEBI Name (1R,4S)-fenchone
ChEBI ID CHEBI:36612
ChEBI ASCII Name (1R,4S)-fenchone
Definition A fenchone that has (1R,4S)-stereochemistry. It is a constituent of the essential oils obtained from fennel.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB0506254, eMolecules:1013946, ZINC000000967570
Download Molfile XML SDF
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 (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 (1S,4R)-fenchone (CHEBI:165) is enantiomer of (1R,4S)-fenchone (CHEBI:36612)
IUPAC Name
(1R,4S)-fenchan-2-one
Synonyms Sources
(−)-fenchone ChEBI
(1R)-(−)-fenchone ChEBI
(1R)-fenchone ChEBI
(1R,4S)-(−)-fenchone ChEBI
(1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one IUPAC
Manual Xrefs Databases
C09859 KEGG COMPOUND
HMDB0034985 HMDB
LMPR0102120031 LIPID MAPS
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Registry Numbers Types Sources
2042710 Reaxys Registry Number Reaxys
7787-20-4 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
24502057 PubMed citation Europe PMC
Last Modified
04 March 2014