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CHEBI:223365 - 4-(9H-beta-carbolin-1-yl)-4-oxobut-2-enoic acid methyl ester

ChEBI IDCHEBI:223365
ChEBI Name4-(9H-beta-carbolin-1-yl)-4-oxobut-2-enoic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12N2O3
Net Charge0
Average Mass280.283
Monoisotopic Mass280.08479
SMILESCOC(=O)/C=C/C(=O)c1nccc2c1nc1ccccc12
InChIInChI=1S/C16H12N2O3/c1-21-14(20)7-6-13(19)16-15-11(8-9-17-16)10-4-2-3-5-12(10)18-15/h2-9,18H,1H3/b7-6+
InChIKeyIAXJBVZHNNLOND-VOTSOKGWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (18715034)
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)
4-(9H-beta-carbolin-1-yl)-4-oxobut-2-enoic acid methyl ester (CHEBI:223365) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
methyl (E)-4-oxo-4-(9H-pyrido[3,4-b]indol-1-yl)but-2-enoate
Manual XrefsDatabases
24710437ChemSpider