Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 9TF    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
2 InChIKey InChI 1.03 BBNQQADTFFCFGB-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 c2cc1C(c3c(c(cc(c3C(c1cc2)=O)O)O)O)=O
4 SMILES CACTVS 3.385 Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
5 SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O
6 Canonical SMILES CACTVS 3.385 Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
7 Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O