Chem
J-GLOBAL ID：200907074583119616   Nikkaji number：J418.354A

Isotachioside

イソタキオシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C13H18O8
Molecular formula furigana： C13-H18-O8
Molecular weight： 302.279
InChI： InChI=1S/C13H18O8/c1-19-8-4-6(15)2-3-7(8)20-13-12(18)11(17)10(16)9(5-14)21-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChI key： LWEHRPZXRYZMDC-UJPOAAIJSA-N
SMILES： COc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 2-メトキシ-4-ヒドロキシフェニルβ-D-グルコピラノシド
  • 4-ヒドロキシ-2-メトキシフェニルβ-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-(4-ヒドロキシ-2-メトキシフェノキシ)-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-(4-hydroxy-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • イソタキオシド
  • Isotachioside
  • 4-Hydroxy-2-methoxyphenyl β-D-glucopyranoside
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