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CHEBI:198346 - methyl 1-((2-methyl carbamate)ethyl)-beta-carboline-3-carboxylate

ChEBI IDCHEBI:198346
ChEBI Namemethyl 1-((2-methyl carbamate)ethyl)-beta-carboline-3-carboxylate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17N3O3
Net Charge0
Average Mass311.341
Monoisotopic Mass311.12699
SMILESCNC(=O)CCc1nc(C(=O)OC)cc2c1nc1ccccc12
InChIInChI=1S/C17H17N3O3/c1-18-15(21)8-7-13-16-11(9-14(19-13)17(22)23-2)10-5-3-4-6-12(10)20-16/h3-6,9,20H,7-8H2,1-2H3,(H,18,21)
InChIKeyMOQLUICCHUPWRB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - DOI (10.1016/j.phytol.2013.06.007)
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)
methyl 1-((2-methyl carbamate)ethyl)-beta-carboline-3-carboxylate (CHEBI:198346) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
methyl 1-[3-(methylamino)-3-oxopropyl]-9H-pyrido[3,4-b]indole-3-carboxylate
Manual XrefsDatabases
78434615ChemSpider