Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PF0    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)
2 InChIKey InChI 1.03 RIERSGULWXEJKL-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)c1cccc(O)c1C
4 SMILES CACTVS 3.370 Cc1c(O)cccc1C(O)=O
5 SMILES OpenEye OEToolkits 1.7.0 Cc1c(cccc1O)C(=O)O
6 Canonical SMILES CACTVS 3.370 Cc1c(O)cccc1C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.0 Cc1c(cccc1O)C(=O)O