Chem
J-GLOBAL ID：200907004460772406   Nikkaji number：J1.836.894C

beta-D-Glucosyl-2-coumarinate

2-(β-D-グルコピラノシルオキシ)-cis-けい皮酸
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)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5-/t10-,12-,13+,14-,15-/m1/s1
InChI key： GVRIYIMNJGULCZ-QLFWQTQQSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccccc2/C=C\C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (5)：
  • (Z)-3-[2-(β-D-グルコピラノシルオキシ)フェニル]プロペン酸
  • (Z)-2-(β-D-グルコピラノシルオキシ)アロけい皮酸
  • 2-(β-D-グルコピラノシルオキシ)-cis-けい皮酸
  • (2Z)-3-(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}フェニル)プロパ-2-エン酸
  • (2Z)-3-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
Other name (5)：
  • (Z)-3-[2-(β-D-Glucopyranosyloxy)phenyl]propenoic acid
  • (Z)-2-(β-D-Glucopyranosyloxy)allocinnamic acid
  • 2-(β-D-Glucopyranosyloxy)-cis-cinnamic acid
  • cis-beta-D-Glucosyl-2-hydroxycinnamate
  • beta-D-Glucosyl-2-coumarinate
KEGG COMPOUND： C05839
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