EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221811 - methyl 1-(methyl propionate)-beta-carboline-3-carboxylate

ChEBI IDCHEBI:221811
ChEBI Namemethyl 1-(methyl propionate)-beta-carboline-3-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16N2O4
Net Charge0
Average Mass312.325
Monoisotopic Mass312.11101
SMILESCOC(=O)CCc1nc(C(=O)OC)cc2c1nc1ccccc12
InChIInChI=1S/C17H16N2O4/c1-22-15(20)8-7-13-16-11(9-14(18-13)17(21)23-2)10-5-3-4-6-12(10)19-16/h3-6,9,19H,7-8H2,1-2H3
InChIKeyVHSAKLVCJZOGTM-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-(methyl propionate)-beta-carboline-3-carboxylate (CHEBI:221811) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
methyl 1-(3-methoxy-3-oxopropyl)-9H-pyrido[3,4-b]indole-3-carboxylate
Manual XrefsDatabases
78434906ChemSpider