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BQY

概要
表記:2-methoxyphenyl beta-D-galactopyranoside
別名:o-methoxyphenyl beta-galactoside
OMPG; 2-methoxyphenyl beta-D-galactoside; 2-methoxyphenyl D-galactoside; 2-methoxyphenyl galactoside
組成式:C13 H18 O7
電荷:0
化学式量:286.278 Da
分子種別:D-saccharide

化合物名

プログラムバージョン表記
ACDLabs12.012-methoxyphenyl beta-D-galactopyranoside
OpenEye OEToolkits2.0.6(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01c2cc(c(OC1C(O)C(O)C(C(CO)O1)O)cc2)OC
InChIInChI1.03InChI=1S/C13H18O7/c1-18-7-4-2-3-5-8(7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10+,11+,12-,13-/m1/s1
InChIKeyInChI1.03WBZPEZUBVIAKKS-KSSYENDESA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O
SMILESCACTVS3.385COc1ccccc1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccccc1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits2.0.6COc1ccccc1OC2C(C(C(C(O2)CO)O)O)O

225946

件を2024-10-09に公開中

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