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Summary

Name:Xanthuric acid
Synonyms:Xanthurenate
8-Hydroxykynurenic acid; 4,8-Dihydroxyquinaldic acid
Formula:C10 H7 N O4
Formal charge:0
Molecular weight:205.167 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,8-dihydroxyquinoline-2-carboxylic acid
OpenEye OEToolkits1.9.24,8-bis(oxidanyl)quinoline-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1cc(C(O)=O)nc2c1cccc2O
InChIInChI1.03InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
InChIKeyInChI1.03FBZONXHGGPHHIY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(O)c2cccc(O)c2n1
SMILESCACTVS3.385OC(=O)c1cc(O)c2cccc(O)c2n1
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc2c(cc(nc2c(c1)O)C(=O)O)O
SMILESOpenEye OEToolkits1.9.2c1cc2c(cc(nc2c(c1)O)C(=O)O)O
169117
PDB entries from 2020-09-23