Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 5VK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C17H18O4/c1-2-21-17(20)10-8-12-7-9-14(16(19)11-12)13-5-3-4-6-15(13)18/h3-7,9,11,18-19H,2,8,10H2,1H3
2 InChIKey InChI 1.03 NLRSDRXKCXNRRG-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CCOC(=O)CCc1ccc(c(O)c1)c2ccccc2O
4 SMILES OpenEye OEToolkits 2.0.4 CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O
5 Canonical SMILES CACTVS 3.385 CCOC(=O)CCc1ccc(c(O)c1)c2ccccc2O
6 Canonical SMILES OpenEye OEToolkits 2.0.4 CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O