Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : GQV    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H7NO2/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3
2 InChIKey InChI 1.03 QUKDWRYJPHUXQR-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CN1C=CC=C(O)C1=O
4 SMILES OpenEye OEToolkits 2.0.6 CN1C=CC=C(C1=O)O
5 Canonical SMILES CACTVS 3.385 CN1C=CC=C(O)C1=O
6 Canonical SMILES OpenEye OEToolkits 2.0.6 CN1C=CC=C(C1=O)O