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Menthyl lactate

PropertiesImage
MNX_IDMNXM127812 Image of MNXM127812
referencehmdb:HMDB0037212
formulaC13H24O3
global charge0
mol weight228.332
InChIKeyUJNOLBSYLSYIBM-SGUBAKSOSA-N
InChIInChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10?,11+,12-/m1/s1
SMILESCC(O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
MNX internals
InChI (mnx)InChI=1/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10?,11+,12-/m1/s1 Image of MNXM127812
SMILES (mnx)[CH3:1][CH:8]([CH3:2])[C@@H:11]1[CH2:6][CH2:5][C@@H:9]([CH3:3])[CH2:7][C@H:12]1[O:16][C:13]([CH:10]([CH3:4])[OH:14])=[O:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0037212
UJNOLBSYLSYIBM-SGUBAKSOSA-N
Menthyl lactate
(-)-P-Menthan-3-yl lactate
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2-hydroxypropanoate
(1R,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexyl 2-hydroxypropanoic acid
(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 2-hydroxypropanoate
FEMA 3748
L-Menthyl lactate
Menthyl lactic acid

CHEBI:174175
chebi:174175
UJNOLBSYLSYIBM-UHFFFAOYSA-N
Menthyl lactate
(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxypropanoate

hmdb:HMDB37212
secondary/obsolete/fantasy identifier