Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 3M0    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)
2 InChIKey InChI 1.03 WNAJXPYVTFYEST-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)c1cccc(c1N)C
4 SMILES CACTVS 3.385 Cc1cccc(C(O)=O)c1N
5 SMILES OpenEye OEToolkits 1.9.2 Cc1cccc(c1N)C(=O)O
6 Canonical SMILES CACTVS 3.385 Cc1cccc(C(O)=O)c1N
7 Canonical SMILES OpenEye OEToolkits 1.9.2 Cc1cccc(c1N)C(=O)O