Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : EOU    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
2 InChIKey InChI 1.03 LDCRTTXIJACKKU-ONEGZZNKSA-N
3 SMILES CACTVS 3.385 COC(=O)C=CC(=O)OC
4 SMILES OpenEye OEToolkits 2.0.7 COC(=O)C=CC(=O)OC
5 Canonical SMILES CACTVS 3.385 COC(=O)/C=C/C(=O)OC
6 Canonical SMILES OpenEye OEToolkits 2.0.7 COC(=O)/C=C/C(=O)OC