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ZH1

Summary
Name:methyl 4'-(alpha-D-mannopyranosyloxy)biphenyl-3-carboxylate
Formula:C20 H22 O8
Formal charge:0
Formula weight:390.384 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl 4'-(alpha-D-mannopyranosyloxy)biphenyl-3-carboxylate
OpenEye OEToolkits1.7.0methyl 3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC)c1cccc(c1)c3ccc(OC2OC(C(O)C(O)C2O)CO)cc3
SMILES_CANONICALCACTVS3.370COC(=O)c1cccc(c1)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2
SMILESCACTVS3.370COC(=O)c1cccc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.0COC(=O)c1cccc(c1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
SMILESOpenEye OEToolkits1.7.0COC(=O)c1cccc(c1)c2ccc(cc2)OC3C(C(C(C(O3)CO)O)O)O
InChIInChI1.03InChI=1S/C20H22O8/c1-26-19(25)13-4-2-3-12(9-13)11-5-7-14(8-6-11)27-20-18(24)17(23)16(22)15(10-21)28-20/h2-9,15-18,20-24H,10H2,1H3/t15-,16-,17+,18+,20+/m1/s1
InChIKeyInChI1.03GDSLRMGPZWIAEZ-JGLNRKDHSA-N

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PDB entries from 2026-04-01

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