| PDB CCD ID: | BO0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H12 O4 |
| InChI: | InChI=1S/C7H12O4/c8-2-3-1-4-7(11-4)6(10)5(3)9/h3-10H,1-2H2/t3-,4-,5-,6+,7-/m1/s1 |
| InChIKey: | CQDNTUVVKVNNOI-BNWJMWRWSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1O2)O)O)CO | | CACTVS 3.385 | OC[C@H]1C[C@H]2O[C@H]2[C@@H](O)[C@@H]1O | | OpenEye OEToolkits 2.0.6 | C1C(C(C(C2C1O2)O)O)CO | | CACTVS 3.385 | OC[CH]1C[CH]2O[CH]2[CH](O)[CH]1O |
|
| Name: | (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol |
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