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

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ChEBI Name 3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-1H-indole-2-carboxylic acid
ChEBI ID CHEBI:122190
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H14N2O5
Net Charge 0
Average Mass 350.326
Monoisotopic Mass 350.09027
InChI InChI=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)
InChIKey JKHKOWTVDYDCFZ-UHFFFAOYSA-N
SMILES C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=C(NC4=CC=CC=C43)C(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-33633 LINCS
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