Obsolete: 0UB
Summary
| Name: | beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose |
| Synonyms: | Levantriose |
| Formula: | C18 H32 O16 |
| Formal charge: | 0 |
| Formula weight: | 504.437 Da |
| Component type: | saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose |
| OpenEye OEToolkits | 1.7.6 | (2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-2-(hydroxymethyl)oxolane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O3C(COC1(OC(C(O)C1O)COC2(OC(CO)C(O)C2O)CO)CO)C(O)C(O)C3(O)CO |
| InChI | InChI | 1.03 | InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | ZFTFOHBYVDOAMH-XNOIKFDKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@@](CO)(OC[C@H]3O[C@](O)(CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[C](CO)(OC[CH]2O[C](CO)(OC[CH]3O[C](O)(CO)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)OCC3C(C(C(O3)(CO)O)O)O)O)O)O)O)O |
