MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(1S,4R)-1-hydroxylimonen-2-one

MNXM2570 is deprecated and here replaced by MNXM733087
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM733087
reference	chebi:38249
formula	C₁₀H₁₆O₂
global charge	0
mol weight	168.236
InChIKey	JEQLRDRDFLXSHY-SCZZXKLOSA-N
InChI	InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10+/m1/s1
SMILES	C=C(C)[C@@H]1CC[C@](C)(O)C(=O)C1

MNX internals

InChI (mnx)	InChI=1/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10+/m1/s1
SMILES (mnx)	[CH2:1]=[C:7]([CH3:2])[C@@H:8]1[CH2:4][CH2:5][C@:10]([CH3:3])([OH:12])[C:9](=[O:11])[CH2:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:38249 chebi:38249 JEQLRDRDFLXSHY-SCZZXKLOSA-N	(1S,4R)-1-hydroxylimonen-2-one (1S,4R)-1-Hydroxy-2-oxolimonene (1S,4R)-1-Hydroxymenth-8-en-2-one (1S,4R)-1-hydroxy-p-menth-8-en-2-one (2S,5R)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclohexanone (2S,5R)-2-hydroxy-5-isopropenyl-2-methylcyclohexanone
envipath:...b6fc19bf80cc envipathM:...b6fc19bf80cc sabiork.compound:13987 sabiorkM:13987 lipidmaps:LMPR0102090042 lipidmapsM:LMPR0102090042 vmhM:1holmn vmhmetabolite:1holmn JEQLRDRDFLXSHY-SCZZXKLOSA-N	(1S,4R)-1-Hydroxy-2-oxolimonene
seed.compound:cpd08734 seedM:cpd08734 JEQLRDRDFLXSHY-SCZZXKLOSA-N	(1S,4R)-1-Hydroxy-2-oxolimonene (1R,4S)-1-hydroxymenth-8-ene-2-one (1S,4R)-1-Hydroxymenth-8-en-2-one (1S,4R)-1-hydroxy-2-oxolimonene
kegg.compound:C11937 keggC:C11937 JEQLRDRDFLXSHY-SCZZXKLOSA-N	(1S,4R)-1-Hydroxy-2-oxolimonene (1S,4R)-1-Hydroxymenth-8-en-2-one
SLM:000597860 slm:000597860 JEQLRDRDFLXSHY-SCZZXKLOSA-N	(1S,4R)-1-hydroxylimonen-2-one
metacyc.compound:CPD-10057 metacycM:CPD-10057 JEQLRDRDFLXSHY-SCZZXKLOSA-N	(1S,4R)-1-hydroxymenth-8-en-2-one (1S,4R)-1-hydroxy-2-oxolimonene
chebi:18517 chebi:29456 keggC:M_C11937 seedM:M_cpd08734 vmhM:M_1holmn	secondary/obsolete/fantasy identifier