Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : VAJ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H10O4/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H,15,16)(H,17,18)
2 InChIKey InChI 1.03 GSYIVQLTSZFJRV-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 c2(ccc(c1cc(ccc1)C(=O)O)cc2)C(O)=O
4 SMILES CACTVS 3.385 OC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O
5 SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O
6 Canonical SMILES CACTVS 3.385 OC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O