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Obsolete: TUR

Summary
Name:3-O-alpha-D-glucopyranosyl-alpha-D-fructofuranose
Formula:C12 H22 O11
Formal charge:0
Formula weight:342.296 Da
Component type:saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-O-alpha-D-glucopyranosyl-alpha-D-fructofuranose
OpenEye OEToolkits1.7.2(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)-2,4-bis(oxidanyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(C1C(O)C(OC1(O)CO)CO)C2OC(CO)C(O)C(O)C2O
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-UGDNZRGBSA-N
SMILES_CANONICALCACTVS3.370OC[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
SMILESCACTVS3.370OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[C]2(O)CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.2C([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 OEToolkits1.7.2C(C1C(C(C(C(O1)OC2C(C(OC2(CO)O)CO)O)O)O)O)O

222624

数据于2024-07-17公开中

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