Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : OVV    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
2 InChIKey InChI 1.03 GPSDUZXPYCFOSQ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Cc1cccc(c1)C(O)=O
4 SMILES CACTVS 3.385 Cc1cccc(c1)C(O)=O
5 SMILES OpenEye OEToolkits 2.0.7 Cc1cccc(c1)C(=O)O
6 Canonical SMILES CACTVS 3.385 Cc1cccc(c1)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cccc(c1)C(=O)O