Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68106
Common Name:	Oxymatrine
Systematic Name:	5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
RefMet Name:	Oxymatrine
Synonyms:	Matrine N-oxide; Matrine oxide; Matrine 1beta-oxide; Ammothamnine; Matrine, 1-oxide [PubChem Synonyms]
Exact Mass:	264.1838 (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:	C15H24N2O2
InChIKey:	XVPBINOPNYFXID-AQYCGZOBSA-N
ClassyFire superclass:	Alkaloids and derivatives [C0000279]
ClassyFire class:	Lupin alkaloids [C0002719]
ClassyFire subclass:	Matrine alkaloids [C0002720]
ClassyFire direct parent:	Matrine alkaloids [C0002720]
Massbank MS spectra:	View MS spectra
SMILES:	[O-][N+]12CCC[C@@H]3CN4C(CCCC4=O)[C@H](CCC1)[C@H]23
Studies:	Available studies (via RefMet name)

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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