Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : V55    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
2 InChIKey InChI 1.03 MWOOGOJBHIARFG-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=Cc1cc(OC)c(O)cc1
4 SMILES CACTVS 3.341 COc1cc(C=O)ccc1O
5 SMILES OpenEye OEToolkits 1.5.0 COc1cc(ccc1O)C=O
6 Canonical SMILES CACTVS 3.341 COc1cc(C=O)ccc1O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 COc1cc(ccc1O)C=O