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CHEBI:233857 - 1-methyl-beta-carboline-3-carboxylic acid

ChEBI IDCHEBI:233857
ChEBI Name1-methyl-beta-carboline-3-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H10N2O2
Net Charge0
Average Mass226.235
Monoisotopic Mass226.07423
SMILESCc1nc(C(=O)O)cc2c1nc1ccccc12
InChIInChI=1S/C13H10N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-6,15H,1H3,(H,16,17)
InChIKeyMFEZJNMQTQMDRQ-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)
1-methyl-beta-carboline-3-carboxylic acid (CHEBI:233857) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
1-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
Manual XrefsDatabases
4546099ChemSpider
Registry NumbersSources
CAS:22329-38-0ChemIDplus