Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : GTQ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
2 InChIKey InChI 1.03 WXTMDXOMEHJXQO-UHFFFAOYSA-N
3 SMILES ACDLabs 11.02 O=C(O)c1cc(O)ccc1O
4 SMILES CACTVS 3.352 OC(=O)c1cc(O)ccc1O
5 SMILES OpenEye OEToolkits 1.7.0 c1cc(c(cc1O)C(=O)O)O
6 Canonical SMILES CACTVS 3.352 OC(=O)c1cc(O)ccc1O
7 Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc(c(cc1O)C(=O)O)O