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CHEBI:36492 - (+)-isomenthone

ChEBI IDCHEBI:36492
ChEBI Name(+)-isomenthone
Stars
Secondary ChEBI IDsCHEBI:18459, CHEBI:29453
Last Modified27 July 2015
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-/m1/s1
InChIKeyNFLGAXVYCFJBMK-RKDXNWHRSA-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:36492) is a isomenthone (CHEBI:36493)
(+)-isomenthone (CHEBI:36492) is enantiomer of (−)-isomenthone (CHEBI:36496)
Incoming Relation(s)
(−)-isomenthone (CHEBI:36496) is enantiomer of (+)-isomenthone (CHEBI:36492)
IUPAC Name 
(2R,5R)-5-methyl-2-(propan-2-yl)cyclohexanone
Synonyms  Source
(1R,4R)-p-menthan-3-oneIUPAC
(2R,5R)-2-isopropyl-5-methylcyclohexanoneIUPAC
(2R-cis)-5-methyl-2-(1-methylethyl)cyclohexanoneNIST Chemistry WebBook
d-isomenthoneNIST Chemistry WebBook
(+)-IsomenthoneKEGG COMPOUND
UniProt Name  Source
(2R,5R)-isomenthoneUniProt
Manual XrefsDatabases
C00010902KNApSAcK
C11952KEGG COMPOUND
LMPR0102090044LIPID MAPS
Registry NumbersSources
Beilstein:2041366Beilstein
Beilstein:5245019Beilstein
CAS:1196-31-2KEGG COMPOUND
CAS:1196-31-2NIST Chemistry WebBook
CAS:1196-31-2ChemIDplus