Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : CUQ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H
2 InChIKey InChI 1.03 ARWCZKJISXFBGI-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Oc1ccc(cc1O)C(=O)c2ccccc2
4 SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(=O)c2ccc(c(c2)O)O
5 Canonical SMILES CACTVS 3.385 Oc1ccc(cc1O)C(=O)c2ccccc2
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(=O)c2ccc(c(c2)O)O