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CHEBI:28954 - fagaronine

ChEBI IDCHEBI:28954
ChEBI Namefagaronine
Stars
Secondary ChEBI IDsCHEBI:4968, CHEBI:24011
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H20NO4
Net Charge+1
Average Mass350.394
Monoisotopic Mass350.13868
SMILESCOc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O
InChIInChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22/h5-11H,1-4H3/p+1
InChIKeyOOKZVPUCASIEBL-UHFFFAOYSA-O
Roles Classification
Biological Roles:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
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)
fagaronine (CHEBI:28954) has role mutagen (CHEBI:25435)
fagaronine (CHEBI:28954) is a benzophenanthridine alkaloid (CHEBI:38517)
IUPAC Name 
2-hydroxy-3,8,9-trimethoxy-5-methylbenzo[c]phenanthridinium
Synonym  Source
FagaronineKEGG COMPOUND
Manual XrefsDatabases
C09438KEGG COMPOUND
C00001857KNApSAcK
Registry NumbersSources
CAS:52259-65-1KEGG COMPOUND