Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 8HQ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)
2 InChIKey InChI 1.03 KPTUKANGPPVLMD-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)c1c2cccc(O)c2ncc1
4 SMILES CACTVS 3.385 OC(=O)c1ccnc2c(O)cccc12
5 SMILES OpenEye OEToolkits 1.9.2 c1cc2c(ccnc2c(c1)O)C(=O)O
6 Canonical SMILES CACTVS 3.385 OC(=O)c1ccnc2c(O)cccc12
7 Canonical SMILES OpenEye OEToolkits 1.9.2 c1cc2c(ccnc2c(c1)O)C(=O)O