Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	42989
Common Name:	Galantamine
Systematic Name:	(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-6,8,10(17),15-tetraen-14-ol
Synonyms:	[PubChem Synonyms]
Exact Mass:	287.1521 (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:	C17H21NO3
InChIKey:	ASUTZQLVASHGKV-JDFRZJQESA-N
ClassyFire superclass:	Alkaloids and derivatives [C0000279]
ClassyFire class:	Amaryllidaceae alkaloids [C0001775]
ClassyFire subclass:	Galanthamine-type amaryllidaceae alkaloids [C0004128]
ClassyFire direct parent:	Galanthamine-type amaryllidaceae alkaloids [C0004128]
MoNA MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	CN1CC[C@@]23C=C[C@@H](C[C@@H]2Oc2c(ccc(C1)c32)OC)O
Studies:	-

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External database links:

PubChem CID:	9651
CHEBI ID:	5264
HMDB ID:	HMDB0014812
KEGG ID:	C08526
Chemspider ID:	9272
NP-MRD ID(NMR):	NP0001554
Plant Metabolite Hub(Pmhub):	MS000001606

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