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CHEBI:175111 - Berberrubine

ChEBI IDCHEBI:175111
ChEBI NameBerberrubine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16NO4.Cl
Net Charge0
Average Mass357.793
Monoisotopic Mass357.07679
SMILESCOc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2.[Cl-]
InChIInChI=1S/C19H15NO4.ClH/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21;/h2-3,6-9H,4-5,10H2,1H3;1H
InChIKeyGYFSYEVKFOOLFZ-UHFFFAOYSA-N
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)
Berberrubine (CHEBI:175111) is a alkaloid (CHEBI:22315)
IUPAC Name 
17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-ol;chloride
Manual XrefsDatabases
65547ChemSpider
Registry NumbersSources
CAS:15401-69-1ChemIDplus