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VNY

Summary
Name:PARA-BIPHENYL METHYLENE C-LINKED MANNOSIDE
Formula:C21 H24 O5
Formal charge:0
Formula weight:356.412 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-2-(4-phenylphenyl)prop-1-enyl]oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H24O5/c1-13(11-17-19(23)21(25)20(24)18(12-22)26-17)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,17-25H,12H2,1H3/b13-11+/t17-,18-,19-,20-,21-/m1/s1
InChIKeyInChI1.03CZOUTUOSDBYBBC-OBPXZMPXSA-N
SMILES_CANONICALCACTVS3.385C\C(=C/[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c2ccc(cc2)c3ccccc3
SMILESCACTVS3.385CC(=C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)c2ccc(cc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6C/C(=C\[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/c2ccc(cc2)c3ccccc3
SMILESOpenEye OEToolkits1.7.6CC(=CC1C(C(C(C(O1)CO)O)O)O)c2ccc(cc2)c3ccccc3

222415

數據於2024-07-10公開中

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