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CHEBI:31271 - Berberine chloride (TN)

Default Structure
ChEBI IDCHEBI:31271
ChEBI NameBerberine chloride (TN)
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H18NO4.Cl
Net Charge0
Average Mass371.820
Monoisotopic Mass371.09244
SMILESCOc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]
InChIInChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1
InChIKeyVKJGBAJNNALVAV-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Berberine chloride (TN) (CHEBI:31271) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Berberine chlorideKEGG COMPOUND
Manual XrefsDatabases
C12679KEGG COMPOUND
Registry NumbersSources
CAS:633-65-8KEGG COMPOUND