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CHEBI:50245 - (1R,4S)-1-hydroxylimonen-2-one

ChEBI IDCHEBI:50245
ChEBI Name(1R,4S)-1-hydroxylimonen-2-one
Stars
ASCII Name(1R,4S)-1-hydroxylimonen-2-one
DefinitionAn optically active form of 1-hydroxylimonen-2-one having (1R,4S)-configuration.
Last Modified6 September 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILESC=C(C)[C@H]1CC[C@@](C)(O)C(=O)C1
InChIInChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10+/m0/s1
InChIKeyJEQLRDRDFLXSHY-WCBMZHEXSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,4S)-1-hydroxylimonen-2-one (CHEBI:50245) is a 1-hydroxylimonen-2-one (CHEBI:50246)
(1R,4S)-1-hydroxylimonen-2-one (CHEBI:50245) is enantiomer of (1S,4R)-1-hydroxylimonen-2-one (CHEBI:38249)
Incoming Relation(s)
(4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138362) has functional parent (1R,4S)-1-hydroxylimonen-2-one (CHEBI:50245)
(4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138596) has functional parent (1R,4S)-1-hydroxylimonen-2-one (CHEBI:50245)
(1S,4R)-1-hydroxylimonen-2-one (CHEBI:38249) is enantiomer of (1R,4S)-1-hydroxylimonen-2-one (CHEBI:50245)
IUPAC Names 
(1R,4S)-1-hydroxy-p-menth-8-en-2-one
(2R,5S)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclohexanone
Synonyms  Source
(2R,5S)-2-hydroxy-5-isopropenyl-2-methylcyclohexanoneChEBI
(1R,4S)-1-hydroxy-2-oxolimoneneChEBI
(1R,4S)-1-hydroxymenth-8-en-2-oneChEBI
UniProt Name  Source
(1R,4S)-1-hydroxylimonen-2-oneUniProt
Manual XrefsDatabases
CPD-10058MetaCyc
C19083KEGG COMPOUND