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CHEBI:65019 - methyl indole-3-carboxylate

ChEBI IDCHEBI:65019
ChEBI Namemethyl indole-3-carboxylate
Stars
DefinitionThe methyl ester of indole-3-carboxylic acid.
Last Modified6 March 2015
Submittermwilliams
DownloadsMolfile
FormulaC10H9NO2
Net Charge0
Average Mass175.187
Monoisotopic Mass175.06333
SMILESCOC(=O)c1cnc2ccccc12
InChIInChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3
InChIKeyQXAUTQFAWKKNLM-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)
methyl indole-3-carboxylate (CHEBI:65019) has functional parent indole-3-carboxylic acid (CHEBI:24809)
methyl indole-3-carboxylate (CHEBI:65019) has role metabolite (CHEBI:25212)
methyl indole-3-carboxylate (CHEBI:65019) is a indoles (CHEBI:24828)
methyl indole-3-carboxylate (CHEBI:65019) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl 1H-indole-3-carboxylate
Synonyms  Source
indole-3-carboxylic acid methyl esterChEBI
3-methoxycarbonylindoleChEBI
3-carbomethoxyindoleChEBI
Manual XrefsDatabases
CPDQT-423MetaCyc
Registry NumbersSources
Reaxys:142023Reaxys
Citations