Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	69354
Common Name:	Deoxynupharidine
Systematic Name:	(1R,4S,7S,9aS)-4-(3-furyl)-1,7-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
RefMet Name:	Deoxynupharidine
Synonyms:	C09945; AC1L9D0H; SureCN11690224; CHEMBL140758 [PubChem Synonyms]
Exact Mass:	233.1780 (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:	C15H23NO
InChIKey:	VACYOTYBTLYIEB-KNUOEEMSSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Quinolizines [C0000222]
ClassyFire subclass:	Quinolizines [C0000222]
ClassyFire direct parent:	Aromatic heteropolycyclic compounds
SMILES:	C[C@H]1CCC2[C@H](C)CC[C@@H](c3ccoc3)N2C1
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

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