Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : B0G    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
2 InChIKey InChI 1.03 JKIUUDJOCYHIGY-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 OC1CCN(CC1)C(=O)OCc2ccccc2
4 SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)COC(=O)N2CCC(CC2)O
5 Canonical SMILES CACTVS 3.385 OC1CCN(CC1)C(=O)OCc2ccccc2
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)COC(=O)N2CCC(CC2)O