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L-Menthyl acetoacetate

PropertiesImage
MNX_IDMNXM127167 Image of MNXM127167
referencechebi:168575
formulaC14H24O3
global charge0
mol weight240.343
InChIKeyQSVQIPXQOCAWHP-UHTWSYAYSA-N
InChIInChI=1S/C14H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13-/m0/s1
SMILESCC(=O)CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
MNX internals
InChI (mnx)InChI=1/C14H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13-/m0/s1 Image of MNXM127167
SMILES (mnx)[CH3:1][CH:9]([CH3:2])[C@H:12]1[CH2:6][CH2:5][C@H:10]([CH3:3])[CH2:7][C@@H:13]1[O:17][C:14]([CH2:8][C:11]([CH3:4])=[O:15])=[O:16]
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

CHEBI:168575
chebi:168575
QSVQIPXQOCAWHP-UHTWSYAYSA-N
L-Menthyl acetoacetate
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 3-oxobutanoate
hmdb:HMDB0032369
QSVQIPXQOCAWHP-UHTWSYAYSA-N
L-Menthyl acetoacetate
(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 3-oxobutanoate
(1S,2R,5S)-5-Methyl-2-(propan-2-yl)cyclohexyl 3-oxobutanoic acid
(1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl 3-oxobutanoate
L-Menthyl acetoacetic acid
Menthol acetoacetate
Menthyl acetoacetate

hmdb:HMDB32369
secondary/obsolete/fantasy identifier