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Summary
Name:6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Formula:C13 H9 N O6
Formal charge:0
Formula weight:275.214 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
OpenEye OEToolkits2.0.66-(3-carboxyphenyl)-3-oxidanyl-4-oxidanylidene-1~{H}-pyridine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(c1cccc(c1)C=2NC(C(O)=O)=C(O)C(C=2)=O)=O
InChIInChI1.03InChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-2-1-3-7(4-6)12(17)18/h1-5,16H,(H,14,15)(H,17,18)(H,19,20)
InChIKeyInChI1.03CHARUKBQSGEOIG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cccc(c1)C2=CC(=O)C(=C(N2)C(O)=O)O
SMILESCACTVS3.385OC(=O)c1cccc(c1)C2=CC(=O)C(=C(N2)C(O)=O)O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)O)O
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)O)O

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PDB entries from 2024-07-17

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