Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 9WZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H20O8/c15-4-3-8-1-2-10(9(18)5-8)21-14(7-17)13(20)12(19)11(6-16)22-14/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1
2 InChIKey InChI 1.03 CNXXGYXVIZNKJW-YIYPIFLZSA-N
3 SMILES CACTVS 3.385 OCCc1ccc(O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)c(O)c1
4 SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1CCO)O)OC2(C(C(C(O2)CO)O)O)CO
5 Canonical SMILES CACTVS 3.385 OCCc1ccc(O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)c(O)c1
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1CCO)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO