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CHEBI:201466 - Chelerythrine chloride

ChEBI IDCHEBI:201466
ChEBI NameChelerythrine chloride
Stars
Last Modified10 January 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18NO4.Cl
Net Charge0
Average Mass383.831
Monoisotopic Mass383.09244
SMILESCOc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC.[Cl-]
InChIInChI=1S/C21H18NO4.ClH/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;1H/q+1;/p-1
InChIKeyWEEFNMFMNMASJY-UHFFFAOYSA-M
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Chelerythrine chloride (CHEBI:201466) is a benzophenanthridine alkaloid (CHEBI:38517)
IUPAC Name 
1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride
Manual XrefsDatabases
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