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CHEBI:3477 - Ceceline

ChEBI IDCHEBI:3477
ChEBI NameCeceline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H16N2O2
Net Charge0
Average Mass304.349
Monoisotopic Mass304.12118
SMILESCOc1ccc2nc3c(Cc4ccc(O)cc4)nccc3c2c1
InChIInChI=1S/C19H16N2O2/c1-23-14-6-7-17-16(11-14)15-8-9-20-18(19(15)21-17)10-12-2-4-13(22)5-3-12/h2-9,11,21-22H,10H2,1H3
InChIKeyBHOQLEQHXKFSAO-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)
Ceceline (CHEBI:3477) is a harmala alkaloid (CHEBI:61379)
Synonym  Source
CecelineKEGG COMPOUND
Manual XrefsDatabases
C09130KEGG COMPOUND
C00001706KNApSAcK
Registry NumbersSources
CAS:76525-09-2KEGG COMPOUND