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chelerythrine

Properties

Image

Occurences in reactions

MNX_ID

MNXM46264

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₁H₁₈NO₄

charge

mass

348.12303

reference

InChIKey

LLEJIEBFSOEYIV-UHFFFAOYSA-N

InChI

InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1

SMILES

COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78373 chebi:78373	chelerythrine 1,2-Dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
kegg.compound:C12227 keggC:C12227	Chelerythrine
seed.compound:cpd09006 seedM:cpd09006	Chelerythrine chelerythrine helleritrine hydroxide toddalin
metacyc.compound:CPD-16782 metacycM:CPD-16782	chelerythrine helleritrine hydroxide toddalin
chebi:31388 keggC:M_C12227 seedM:M_cpd09006	secondary/obsolete/fantasy identifier