Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 7N7    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H
2 InChIKey InChI 1.03 KPTRDYONBVUWPD-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 c1c2c(cc(B(O)O)c1)cccc2
4 SMILES CACTVS 3.385 OB(O)c1ccc2ccccc2c1
5 SMILES OpenEye OEToolkits 2.0.6 B(c1ccc2ccccc2c1)(O)O
6 Canonical SMILES CACTVS 3.385 OB(O)c1ccc2ccccc2c1
7 Canonical SMILES OpenEye OEToolkits 2.0.6 B(c1ccc2ccccc2c1)(O)O