Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : HGB    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2/q;+1;/p-1
2 InChIKey InChI 1.03 WMHRYLDWLOGHSG-UHFFFAOYSA-M
3 SMILES ACDLabs 10.04 O=C(O)c1ccc([Hg]O)cc1
4 SMILES CACTVS 3.341 O[Hg]c1ccc(cc1)C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=O)O)[Hg]O
6 Canonical SMILES CACTVS 3.341 O[Hg]c1ccc(cc1)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=O)O)[Hg]O