EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:108491 - 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

ChEBI IDCHEBI:108491
ChEBI Name1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Stars
DownloadsMolfile
FormulaC19H16N2O4
Net Charge0
Average Mass336.347
Monoisotopic Mass336.11101
SMILESO=C(O)C1Cc2c(nc3ccccc23)C(c2ccc3c(c2)OCO3)N1
InChIInChI=1S/C19H16N2O4/c22-19(23)14-8-12-11-3-1-2-4-13(11)20-18(12)17(21-14)10-5-6-15-16(7-10)25-9-24-15/h1-7,14,17,20-21H,8-9H2,(H,22,23)
InChIKeyMDXJJOKTGDJRNN-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-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CHEBI:108491) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-19867LINCS