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Neomenthyl acetate

PropertiesImage
MNX_IDMNXM12446 Image of MNXM12446
referencechebi:80758
formulaC12H22O2
global charge0
mol weight198.306
InChIKeyXHXUANMFYXWVNG-USWWRNFRSA-N
InChIInChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m1/s1
SMILESCC(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C
MNX internals
InChI (mnx)InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m1/s1 Image of MNXM12446
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:14][C:10]([CH3:4])=[O:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd16580
seedM:cpd16580
CHEBI:80758
chebi:80758
kegg.compound:C16825
keggC:C16825
XHXUANMFYXWVNG-USWWRNFRSA-N 		Neomenthyl acetate
hmdb:HMDB0302743
XHXUANMFYXWVNG-USWWRNFRSA-N 		(+)-Neomenthyl acetate
(+)-Neomenthyl acetic acid
(1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl acetate
Neomenthyl acetic acid
neomenthyl acetate

keggC:M_C16825
seedM:M_cpd16580 		secondary/obsolete/fantasy identifier