Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	69840
Common Name:	Norchelerythrine
Systematic Name:	1,2-dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridine
Synonyms:	1,2-Dimethoxy-(1,3)benzodioxolo(5,6-c)phenanthridine; 1,2-dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridine; C12226; AC1L9F2B [PubChem Synonyms]
Exact Mass:	333.1001 (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:	C20H15NO4
InChIKey:	JGUNQXPMULKFNY-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Quinolines and derivatives [C0001253]
ClassyFire subclass:	Benzoquinolines [C0001908]
ClassyFire direct parent:	Phenanthridines and derivatives [C0000100]
SMILES:	COc1ccc2c3ccc4cc5c(cc4c3ncc2c1OC)OCO5
Studies:	-

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	443719
HMDB ID:	HMDB0255726
KEGG ID:	C12226
Plant Metabolite Hub(Pmhub):	MS000022941

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