Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	28148
Common Name:	(-)-menthyl beta-D-glucoside
Systematic Name:	(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl beta-D-glucopyranoside
RefMet Name:	Menthyl beta-D-glucoside
Synonyms:	(-)-Menthyl O-beta-D-glucoside; (-)-menthyl O-beta-D-glucoside; (-)-menthyl O-beta-glucopyranoside [PubChem Synonyms]
Exact Mass:	318.2042 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C16H30O6
InChIKey:	GZSDZJZIZBGBON-NZZARTGWSA-N
LIPID MAPS Category:	Prenol Lipids [PR]
LIPID MAPS mainclass:	Isoprenoids [PR01]
LIPID MAPS subclass:	C10 isoprenoids (monoterpenes) [PR0102]
LIPID MAPS level4class:	Menthane monoterpenoids [LMPR010209]
SMILES:	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5459767
LIPID MAPS ID:	LMPR0102090060
CHEBI ID:	15411
HMDB ID:	HMDB0032368
KEGG ID:	C03962
Chemspider ID:	4573550
MetaCyc ID:	CPD-1910
Plant Metabolite Hub(Pmhub):	MS000018144

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y