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3X8

Summary
Name:biphenyl-4-yl alpha-D-mannopyranoside
Formula:C18 H20 O6
Formal charge:0
Formula weight:332.348 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01biphenyl-4-yl alpha-D-mannopyranoside
OpenEye OEToolkits1.9.2(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-phenylphenoxy)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(c2ccc(c1ccccc1)cc2)C3OC(C(O)C(O)C3O)CO
InChIInChI1.03InChI=1S/C18H20O6/c19-10-14-15(20)16(21)17(22)18(24-14)23-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-22H,10H2/t14-,15-,16+,17+,18+/m1/s1
InChIKeyInChI1.03SZBKRKVDBPBJHL-ZBRFXRBCSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@H](Oc2ccc(cc2)c3ccccc3)[C@@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](Oc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)c2ccc(cc2)OC3C(C(C(C(O3)CO)O)O)O

225158

數據於2024-09-18公開中

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