Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : XYB    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1
2 InChIKey InChI 1.03 LGQKSQQRKHFMLI-SJYYZXOBSA-N
3 SMILES ACDLabs 12.01 O(C1COC(O)C(O)C1O)C2OCC(O)C(O)C2O
4 SMILES CACTVS 3.370 O[CH]1CO[CH](O[CH]2CO[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
5 SMILES OpenEye OEToolkits 1.7.6 C1C(C(C(C(O1)OC2COC(C(C2O)O)O)O)O)O
6 Canonical SMILES CACTVS 3.370 O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O