| PDB CCD ID: | SIV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C6 H8 O7 |
| InChI: | InChI=1S/C6H8O7/c7-2-1-12-6(11)3(2)13-4(8)5(6,9)10/h2-3,7,9-11H,1H2/t2-,3+,6-/m0/s1 |
| InChIKey: | QPPOKIPSRPKDEM-VPGXFDHMSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | OC1COC2(O)C1OC(=O)C2(O)O | | OpenEye OEToolkits 2.0.7 | C1[C@@H]([C@@H]2[C@](O1)(C(C(=O)O2)(O)O)O)O | | OpenEye OEToolkits 2.0.7 | C1C(C2C(O1)(C(C(=O)O2)(O)O)O)O | | CACTVS 3.385 | O[CH]1CO[C]2(O)[CH]1OC(=O)C2(O)O | | CACTVS 3.385 | O[C@H]1CO[C@@]2(O)[C@@H]1OC(=O)C2(O)O |
|
| Name: | (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name) |
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