Chem
J-GLOBAL ID：200907020097036420   Nikkaji number：J821.739D

Nicotinoyl β-D-glucopyranoside

ニコチノイルβ-D-グルコピラノシド
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： C12H15NO7
Molecular formula furigana： C12-H15-N-O7
Molecular weight： 285.252
InChI： InChI=1S/C12H15NO7/c14-5-7-8(15)9(16)10(17)12(19-7)20-11(18)6-2-1-3-13-4-6/h1-4,7-10,12,14-17H,5H2/t7-,8-,9+,10-,12+/m1/s1
InChI key： MHTFMDBHBOTLAQ-GPTQDWHKSA-N
SMILES： OC[C@H]1O[C@@H](OC(=O)c2cccnc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • ニコチノイルβ-D-グルコピラノシド
  • 1-O-(3-ピリジニルカルボニル)-β-D-グルコピラノース
  • (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル ピリジン-3-カルボキシラート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl pyridine-3-carboxylate
Other name (2)：
  • Nicotinoyl β-D-glucopyranoside
  • 1-O-(3-Pyridinylcarbonyl)-β-D-glucopyranose
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