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CHEBI:122190 - 3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-1H-indole-2-carboxylic acid

ChEBI IDCHEBI:122190
ChEBI Name3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-1H-indole-2-carboxylic acid
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DownloadsMolfile
FormulaC19H14N2O5
Net Charge0
Average Mass350.330
Monoisotopic Mass350.09027
SMILESO=C(C=Cc1ccc2c(c1)OCO2)Nc1c(C(=O)O)nc2ccccc12
InChIInChI=1S/C19H14N2O5/c22-16(8-6-11-5-7-14-15(9-11)26-10-25-14)21-17-12-3-1-2-4-13(12)20-18(17)19(23)24/h1-9,20H,10H2,(H,21,22)(H,23,24)
InChIKeyJKHKOWTVDYDCFZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-1H-indole-2-carboxylic acid (CHEBI:122190) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-33633LINCS