Chem
J-GLOBAL ID：200907042844390968   Nikkaji number：J418.343F

4-(β-D-Glucopyranosyloxy)benzenepropenoic acid

4-(β-D-グルコピラノシルオキシ)ベンゼンプロペン酸
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： C15H18O8
Molecular formula furigana： C15-H18-O8
Molecular weight： 326.301
InChI： InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/t10-,12-,13+,14-,15-/m1/s1
InChI key： LJFYQZQUAULRDF-TVKJYDDYSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc(C=CC(=O)O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (5)：
  • 3-[4-(β-D-グルコピラノシルオキシ)フェニル]プロペン酸
  • 4-(β-D-グルコピラノシルオキシ)ベンゼンプロペン酸
  • 3-[4-(β-D-グルコピラノシルオキシ)フェニル]アクリル酸
  • 3-(4-{[(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}フェニル)プロパ-2-エン酸
  • 3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
Other name (2)：
  • 4-(β-D-Glucopyranosyloxy)benzenepropenoic acid
  • 3-[4-(β-D-Glucopyranosyloxy)phenyl]acrylic acid
KEGG COMPOUND： C04415
Thsaurus map：
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