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CHEBI:3065 - Berberastine

ChEBI IDCHEBI:3065
ChEBI NameBerberastine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H18NO5
Net Charge+1
Average Mass352.366
Monoisotopic Mass352.11795
SMILESCOc1ccc2cc3[n+](cc2c1OC)CC(O)c1cc2c(cc1-3)OCO2
InChIInChI=1S/C20H18NO5/c1-23-17-4-3-11-5-15-12-6-18-19(26-10-25-18)7-13(12)16(22)9-21(15)8-14(11)20(17)24-2/h3-8,16,22H,9-10H2,1-2H3/q+1
InChIKeyVFCGRXCCUHLLIP-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)
Berberastine (CHEBI:3065) is a alkaloid (CHEBI:22315)
Synonym  Source
BerberastineKEGG COMPOUND
Manual XrefsDatabases
C00001818KNApSAcK
C09360KEGG COMPOUND
Registry NumbersSources
CAS:2435-73-6KEGG COMPOUND