Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0OP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H14O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2
2 InChIKey InChI 1.03 AFKLSWIRJUJWKY-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O(c1cc(ccc1)CO)Cc2ccccc2
4 SMILES CACTVS 3.370 OCc1cccc(OCc2ccccc2)c1
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)COc2cccc(c2)CO
6 Canonical SMILES CACTVS 3.370 OCc1cccc(OCc2ccccc2)c1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)COc2cccc(c2)CO