Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0OO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2
2 InChIKey InChI 1.03 KGANAERDZBAECK-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O(c1ccccc1)c2cc(ccc2)CO
4 SMILES CACTVS 3.370 OCc1cccc(Oc2ccccc2)c1
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)Oc2cccc(c2)CO
6 Canonical SMILES CACTVS 3.370 OCc1cccc(Oc2ccccc2)c1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)Oc2cccc(c2)CO