| PDB CCD ID: | 9FQ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H12 O8 S |
| InChI: | InChI=1S/C7H12O8S/c8-1-2-3(9)4(10)5(11)7-6(2)14-16(12,13)15-7/h2-11H,1H2/t2-,3-,4+,5-,6-,7+/m1/s1 |
| InChIKey: | ZCXRKCCKXOHKLN-GEGSFZHJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C(C1C(C(C(C2C1OS(=O)(=O)O2)O)O)O)O | | OpenEye OEToolkits 2.0.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1OS(=O)(=O)O2)O)O)O)O | | CACTVS 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[S](=O)(=O)O[CH]12 | | CACTVS 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O[S](=O)(=O)O[C@H]12 |
|
| Name: | (3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol |
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