Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : VVP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
2 InChIKey InChI 1.03 LUNOXNMCFPFPMO-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n1ccc2c1cccc2OC
4 SMILES CACTVS 3.385 COc1cccc2[nH]ccc12
5 SMILES OpenEye OEToolkits 2.0.7 COc1cccc2c1cc[nH]2
6 Canonical SMILES CACTVS 3.385 COc1cccc2[nH]ccc12
7 Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cccc2c1cc[nH]2