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PRD_900047

Summary
Name:3-O-alpha-D-glucopyranosyl-beta-D-fructofuranose
Formula:C12 H22 O11
Fomular weight:342.296
Component type:saccharide
Polymer sequences:FRU, GLC
Non-polymer components:
BIRD class:Nutrient
Represented as:branched
Description:oligosaccharide

ProgramVersionName
ACDLabs12.013-O-alpha-D-glucopyranosyl-beta-D-fructofuranose
OpenEye OEToolkits2.0.7(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R})-2,5-bis(hydroxymethyl)-2,4-bis(oxidanyl)oxolan-3-yl]oxy-6- (hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(C(O)C(C(O)C(CO)O1)O)OC2C(O)C(CO)OC2(O)CO
InChIInChI1.03InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)22-10-7(17)5(2-14)23-12(10,20)3-15/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+ ,9-,10+,11-,12-/m1/s1
InChIKeyInChI1.03DRQXUCVJDCRJDB-GWRCVIBKSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@]2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[C]2(O)CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O)CO)O)O)O)O)O
SMILESOpenEye OEToolkits2.0.7C(C1C(C(C(C(O1)OC2C(C(OC2(CO)O)CO)O)O)O)O)O

221716

PDB entries from 2024-06-26

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