Chem
J-GLOBAL ID：200907036158061915   Nikkaji number：J1.207.588J

(4S,5E)-3-Carboxylato-5-(2-hydroxyethylidene)-6α-(β-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-4β-acetic acidanion

(4S,5E)-3-カルボキシラト-5-(2-ヒドロキシエチリデン)-6α-(β-D-グルコピラノシルオキシ)-5,6-ジヒドロ-4H-ピラン-4β-酢酸アニオン
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： C16H20O10[O-]2
Molecular formula furigana： C16-H20-O12
Molecular weight： 404.325
InChI： InChI=1S/C16H22O12/c17-2-1-6-7(3-10(19)20)8(14(24)25)5-26-15(6)28-16-13(23)12(22)11(21)9(4-18)27-16/h1,5,7,9,11-13,15-18,21-23H,2-4H2,(H,19,20)(H,24,25)/p-2/b6-1+/t7-,9+,11+,12-,13+,15-,16-/m0/s1
InChI key： GPLQHZMKCJNNTL-WMSZBYHZSA-L
SMILES： OC/C=C\1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@H]1CC(=O)[O-])C(=O)[O-]
Systematic name  (3)：
  • (4S,5E)-3-カルボキシラト-5-(2-ヒドロキシエチリデン)-6α-(β-D-グルコピラノシルオキシ)-5,6-ジヒドロ-4H-ピラン-4β-酢酸アニオン
  • (2S,3E,4S)-4-(カルボキシラトメチル)-3-(2-ヒドロキシエチリデン)-2-{[(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]オキシ}-3,4-ジヒドロ-2H-ピラン-5-カルボキシラート
  • (2S,3E,4S)-4-(carboxylatomethyl)-3-(2-hydroxyethylidene)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
Other name (1)：
  • (4S,5E)-3-Carboxylato-5-(2-hydroxyethylidene)-6α-(β-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-4β-acetic acidanion
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