| PDB CCD ID: | DS8 |
| Number of entries in BioLiP: | 12 |
| Chemical formula: | C13 H24 O7 |
| InChI: | InChI=1S/C13H24O7/c1-6-11(16)13(18)12(17)9(19-6)3-7-2-8(5-14)20-10(15)4-7/h6-18H,2-5H2,1H3/t6-,7+,8-,9-,10+,11+,12+,13+/m0/s1 |
| InChIKey: | ROOQANRWEBNDFF-VBFQFBHJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC1C(C(C(C(O1)CC2CC(OC(C2)O)CO)O)O)O | | OpenEye OEToolkits 2.0.6 | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O | | CACTVS 3.385 | C[CH]1O[CH](C[CH]2C[CH](O)O[CH](CO)C2)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | C[C@@H]1O[C@@H](C[C@@H]2C[C@H](O)O[C@H](CO)C2)[C@@H](O)[C@H](O)[C@@H]1O |
|
| Name: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol |
zhanggroup.org