Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 06Y    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
2 InChIKey InChI 1.03 LCPDWSOZIOUXRV-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)COc1ccccc1
4 SMILES CACTVS 3.370 OC(=O)COc1ccccc1
5 SMILES OpenEye OEToolkits 1.7.2 c1ccc(cc1)OCC(=O)O
6 Canonical SMILES CACTVS 3.370 OC(=O)COc1ccccc1
7 Canonical SMILES OpenEye OEToolkits 1.7.2 c1ccc(cc1)OCC(=O)O