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CHEBI:4967 - Fagaridine

ChEBI IDCHEBI:4967
ChEBI NameFagaridine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H16NO4
Net Charge+1
Average Mass334.351
Monoisotopic Mass334.10738
SMILESCOc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1O
InChIInChI=1S/C20H15NO4/c1-21-9-15-12(5-6-16(23-2)20(15)22)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21/h3-9H,10H2,1-2H3/p+1
InChIKeyRSCIYYHIBVZXDI-UHFFFAOYSA-O
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)
Fagaridine (CHEBI:4967) is a benzophenanthridine alkaloid (CHEBI:38517)
Synonym  Source
FagaridineKEGG COMPOUND
Manual XrefsDatabases
C09430KEGG COMPOUND
C00001856KNApSAcK
Registry NumbersSources
CAS:51059-64-4KEGG COMPOUND