| PDB CCD ID: | HZB |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H20 O9 |
| InChI: | InChI=1S/C11H20O9/c12-3-1-5(8(16)9(17)6(3)14)20-11-10(18)7(15)4(13)2-19-11/h3-18H,1-2H2/t3-,4-,5-,6?,7+,8+,9+,10-,11+/m1/s1 |
| InChIKey: | SGBDCDJBWZGHGQ-VBGDNJFTSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C1C(C(C(C(C1OC2C(C(C(CO2)O)O)O)O)O)O)O | | CACTVS 3.385 | O[CH]1CO[CH](O[CH]2C[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O | | CACTVS 3.385 | O[C@@H]1CO[C@@H](O[C@@H]2C[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | | OpenEye OEToolkits 2.0.6 | C1[C@H]([C@@H]([C@H](C([C@@H]1O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O |
|
| Name: | (1~{R},3~{S},4~{R},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol |
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