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Neomenthol-glucuronide

PropertiesImage
MNX_IDMNXM158697 Image of MNXM158697
referencechebi:89610
formulaC16H28O7
global charge0
mol weight332.393
InChIKeyCLJGMBYGTHRUNF-SHLVDPONSA-N
InChIInChI=1S/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13+,14-,16+/m0/s1
SMILESCC1CCC(C(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1
MNX internals
InChI (mnx)InChI=1/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13+,14-,16+/m0/s1 Image of MNXM158697
SMILES (mnx)[CH3:1][CH:7]([CH3:2])[CH:9]1[CH2:5][CH2:4][CH:8]([CH3:3])[CH2:6][CH:10]1[O:22][C@H:16]1[C@H:13]([OH:19])[C@@H:11]([OH:17])[C@H:12]([OH:18])[C@@H:14]([C:15](=[O:20])[OH:21])[O:23]1
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:89610
chebi:89610
CLJGMBYGTHRUNF-SHLVDPONSA-N 		Neomenthol-glucuronide
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid
2-Isopropyl-5-methylcyclohexyl beta-D-glucopyranosiduronic acid
hmdb:HMDB0254445
CLJGMBYGTHRUNF-UHFFFAOYSA-N 		Menthol glucuronide
3,4,5-Trihydroxy-6-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}oxane-2-carboxylate
3,4,5-trihydroxy-6-[(2-isopropyl-5-methylcyclohexyl)oxy]oxane-2-carboxylic acid
3,4,5-trihydroxy-6-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid
hmdb:HMDB0060012
CLJGMBYGTHRUNF-SHLVDPONSA-N 		Neomenthol-glucuronide
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}oxane-2-carboxylate
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-isopropyl-5-methylcyclohexyl)oxy]oxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid

hmdb:HMDB60012 		secondary/obsolete/fantasy identifier