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CHEBI:36496 - (−)-isomenthone

ChEBI IDCHEBI:36496
ChEBI Name(−)-isomenthone
Stars
ASCII Name(-)-isomenthone
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H18O
Net Charge0
Average Mass154.253
Monoisotopic Mass154.13577
SMILESCC(C)[C@@H]1CC[C@H](C)CC1=O
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyNFLGAXVYCFJBMK-IUCAKERBSA-N
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
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)
(−)-isomenthone (CHEBI:36496) is a isomenthone (CHEBI:36493)
(−)-isomenthone (CHEBI:36496) is enantiomer of (+)-isomenthone (CHEBI:36492)
Incoming Relation(s)
(+)-isomenthone (CHEBI:36492) is enantiomer of (−)-isomenthone (CHEBI:36496)
IUPAC Name 
(2S,5S)-5-methyl-2-(propan-2-yl)cyclohexanone
Synonyms  Source
(1S,4S)-(−)-p-menthan-3-oneNIST Chemistry WebBook
(1S,4S)-p-menthan-3-oneIUPAC
(2S,5S)-2-isopropyl-5-methylcyclohexanoneIUPAC
(2S-cis)-5-methyl-2-(1-methylethyl)cyclohexanoneNIST Chemistry WebBook
(−)-isomenthoneNIST Chemistry WebBook
l-IsomenthoneKEGG COMPOUND
Manual XrefsDatabases
C17125KEGG COMPOUND
Registry NumbersSources
Beilstein:2205779Beilstein
Gmelin:506095Gmelin
Beilstein:5245022Beilstein
CAS:18309-28-9NIST Chemistry WebBook
CAS:18309-28-9KEGG COMPOUND