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Obsolete: LBS

Summary
Name:6-O-beta-D-fructofuranosyl-beta-D-fructofuranose
Formula:C12 H22 O11
Formal charge:0
Formula weight:342.296 Da
Component type:saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-O-beta-D-fructofuranosyl-beta-D-fructofuranose
OpenEye OEToolkits1.7.6(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-2-(hydroxymethyl)oxolane-2,3,4-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O2C(COC1(OC(C(O)C1O)CO)CO)C(O)C(O)C2(O)CO
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_CANONICALCACTVS3.370OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@](O)(CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.370OC[CH]1O[C](CO)(OC[CH]2O[C](O)(CO)[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)O)O)O)O)O)O
SMILESOpenEye OEToolkits1.7.6C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)O)O)O)O)O)O

218853

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