Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0GZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)
2 InChIKey InChI 1.03 VRMXCPVFSJVVCA-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C1OC(=CC(C(=O)O)=C1)C(=O)O
4 SMILES CACTVS 3.370 OC(=O)C1=CC(=CC(=O)O1)C(O)=O
5 SMILES OpenEye OEToolkits 1.7.6 C1=C(C=C(OC1=O)C(=O)O)C(=O)O
6 Canonical SMILES CACTVS 3.370 OC(=O)C1=CC(=CC(=O)O1)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C1=C(C=C(OC1=O)C(=O)O)C(=O)O