Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FUM    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
2 InChIKey InChI 1.03 VZCYOOQTPOCHFL-OWOJBTEDSA-N
3 SMILES ACDLabs 12.01 O=C(O)\C=C\C(=O)O
4 SMILES CACTVS 3.370 OC(=O)C=CC(O)=O
5 SMILES OpenEye OEToolkits 1.7.6 C(=CC(=O)O)C(=O)O
6 Canonical SMILES CACTVS 3.370 OC(=O)\C=C\C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C(=C/C(=O)O)\C(=O)O