Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : W55    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)
2 InChIKey InChI 1.06 DEBZQUFVQZPPLC-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)C1=Cc2ccccc2OC1
4 SMILES CACTVS 3.385 OC(=O)C1=Cc2ccccc2OC1
5 SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)C=C(CO2)C(=O)O
6 Canonical SMILES CACTVS 3.385 OC(=O)C1=Cc2ccccc2OC1
7 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)C=C(CO2)C(=O)O