Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : MJ5    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3
2 InChIKey InChI 1.03 HUPPMDCSGSHZHI-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O(c1ccccc1)c2ccc(cc2O)C
4 SMILES CACTVS 3.370 Cc1ccc(Oc2ccccc2)c(O)c1
5 SMILES OpenEye OEToolkits 1.7.6 Cc1ccc(c(c1)O)Oc2ccccc2
6 Canonical SMILES CACTVS 3.370 Cc1ccc(Oc2ccccc2)c(O)c1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1ccc(c(c1)O)Oc2ccccc2