Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DO6    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H20O7/c1-10-16(12-6-7-13(23-2)18(22)19(12)27-10)17(21)11-8-14(24-3)20(26-5)15(9-11)25-4/h6-9,22H,1-5H3
2 InChIKey InChI 1.03 RADMJHVVIZTENA-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 COc1ccc2c(oc(C)c2C(=O)c3cc(OC)c(OC)c(OC)c3)c1O
4 SMILES OpenEye OEToolkits 2.0.7 Cc1c(c2ccc(c(c2o1)O)OC)C(=O)c3cc(c(c(c3)OC)OC)OC
5 Canonical SMILES CACTVS 3.385 COc1ccc2c(oc(C)c2C(=O)c3cc(OC)c(OC)c(OC)c3)c1O
6 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(c2ccc(c(c2o1)O)OC)C(=O)c3cc(c(c(c3)OC)OC)OC