CHEBI:4967 - Fagaridine

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ChEBI Name Fagaridine
ChEBI ID CHEBI:4967
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H16NO4
Net Charge +1
Average Mass 334.346
Monoisotopic Mass 334.10738
InChI InChI=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
InChIKey RSCIYYHIBVZXDI-UHFFFAOYSA-O
SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Fagaridine (CHEBI:4967) is a benzophenanthridine alkaloid (CHEBI:38517)
Synonym Source
Fagaridine KEGG COMPOUND
Manual Xrefs Databases
C00001856 KNApSAcK
C09430 KEGG COMPOUND
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Registry Number Type Source
51059-64-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014