Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	69454
Common Name:	6-Gingerol
Systematic Name:	(5S)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)decan-3-one
RefMet Name:	Gingerol
Synonyms:	gingerol; (S)-(+)-[6]Gingerol; (6)-Gingerol; [6]-Gingerol [PubChem Synonyms]
Exact Mass:	294.1831 (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:	C17H26O4
InChIKey:	NLDDIKRKFXEWBK-AWEZNQCLSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Phenols [C0000134]
ClassyFire subclass:	Methoxyphenols [C0000190]
ClassyFire direct parent:	Gingerols [C0001705]
MoNA MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	CCCCC[C@@H](CC(=O)CCc1ccc(c(c1)OC)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	442793
LIPID MAPS ID:	LMPK15020007
HMDB ID:	HMDB0005783
KEGG ID:	C10462
MetaCyc ID:	CPD-13494
NP-MRD ID(NMR):	NP0036907
Plant Metabolite Hub(Pmhub):	MS000004556

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