Obsolete: 0UB

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Summary

Name:beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose
Synonyms:Levantriose
Formula:C18 H32 O16
Formal charge:0
Molecular weight:504.437 Da
Component type:saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.01beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose
OpenEye OEToolkits1.7.6(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

TypeProgramVersionDescriptor
SMILESACDLabs12.01O3C(COC1(OC(C(O)C1O)COC2(OC(CO)C(O)C2O)CO)CO)C(O)C(O)C3(O)CO
InChIInChI1.03InChI=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
InChIKeyInChI1.03ZFTFOHBYVDOAMH-XNOIKFDKSA-N
SMILES_CANONICALCACTVS3.370OC[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
SMILESCACTVS3.370OC[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_CANONICALOpenEye OEToolkits1.7.6C([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
SMILESOpenEye OEToolkits1.7.6C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)OCC3C(C(C(O3)(CO)O)O)O)O)O)O)O)O
167327
PDB entries from 2020-08-05