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CHEBI:202889 - methyl 1-(propionic acid)-beta-carboline-3-carboxylate

ChEBI IDCHEBI:202889
ChEBI Namemethyl 1-(propionic acid)-beta-carboline-3-carboxylate
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SubmitterMetaboLights
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FormulaC16H14N2O4
Net Charge0
Average Mass298.298
Monoisotopic Mass298.09536
SMILESCOC(=O)c1cc2c(nc3ccccc32)c(CCC(=O)O)n1
InChIInChI=1S/C16H14N2O4/c1-22-16(21)13-8-10-9-4-2-3-5-11(9)18-15(10)12(17-13)6-7-14(19)20/h2-5,8,18H,6-7H2,1H3,(H,19,20)
InChIKeyFTVPJLFCBQPUNI-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-(propionic acid)-beta-carboline-3-carboxylate (CHEBI:202889) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
3-(3-methoxycarbonyl-9H-pyrido[3,4-b]indol-1-yl)propanoic acid
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78434737ChemSpider