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PRD_900051

Summary
Name:6-O-beta-D-fructofuranosyl-beta-D-fructofuranose
Formula:C12 H22 O11
Fomular weight:342.296
Component type:saccharide
Polymer sequences:FRU, FRU
Non-polymer components:
BIRD class:Metabolism
Represented as:branched
Description:oligosaccharide

ProgramVersionName
ACDLabs12.016-O-beta-D-fructofuranosyl-beta-D-fructofuranose
OpenEye OEToolkits2.0.7(2~{R},3~{S},4~{S},5~{R})-5-[[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]- 2-(hydroxymethyl)oxolane-2,3,4-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCC2OC(CO)(OCC1OC(C(O)C1O)(CO)O)C(O)C2O
InChIInChI1.03InChI=1S/C12H22O11/c13-1-5-7(16)10(19)12(4-15,23-5)21-2-6-8(17)9(18)11(20,3-14)22-6/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+, 10+,11-,12-/m1/s1
InChIKeyInChI1.03FEXBYMWJVRXRSN-TWOHWVPZSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@](O)(CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385OC[CH]1O[C](CO)(OC[CH]2O[C](O)(CO)[CH](O)[CH]2O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)O)O)O)O)O)O
SMILESOpenEye OEToolkits2.0.7C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)O)O)O)O)O)O

221716

PDB entries from 2024-06-26

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