Chem
J-GLOBAL ID：200907067181172506   Nikkaji number：J1.654.670D

Qercetin3'-glucoside

クエルセチン3′-グルコシド
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： C21H20O12
Molecular formula furigana： C21-H20-O12
Molecular weight： 464.379
InChI： InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
InChI key： YLWQTYZKYGNKPI-HMGRVEAOSA-N
SMILES： OC[C@H]1O[C@@H](Oc2cc(ccc2O)c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • 2-[3-(β-D-グルコピラノシルオキシ)-4-ヒドロキシフェニル]-3,5,7-トリヒドロキシ-4H-1-ベンゾピラン-4-オン
  • 3,4′,5,7-テトラヒドロキシフラボン-3′-イルβ-D-グルコピラノシド
  • 3,5,7-トリヒドロキシ-2-(4-ヒドロキシ-3-{[(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)-4H-クロメン-4-オン
  • 3,5,7-trihydroxy-2-(4-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
Other name (4)：
  • 2-[3-(β-D-Glucopyranosyloxy)-4-hydroxyphenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one
  • クエルセチン3′-グルコシド
  • Qercetin3′-glucoside
  • 3,4′,5,7-Tetrahydroxyflavone-3′-yl β-D-glucopyranoside
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