Chem
J-GLOBAL ID：200907054044544922   Nikkaji number：J2.746.058E

Flavonol 3-O-D-xylosylglucoside

フラボノール3-O-D-キシロシルグルコシド
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： C26H28O12
Molecular formula furigana： C26-H28-O12
Molecular weight： 532.498
InChI： InChI=1S/C26H28O12/c27-14-10-34-25(21(32)18(14)29)35-11-16-19(30)20(31)22(33)26(37-16)38-24-17(28)13-8-4-5-9-15(13)36-23(24)12-6-2-1-3-7-12/h1-9,14,16,18-22,25-27,29-33H,10-11H2/t14-,16-,18+,19-,20+,21-,22-,25+,26+/m1/s1
InChI key： QBUWNMMELNULIT-UBXNXWJWSA-N
SMILES： O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4ccccc4c3=O)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3-[(6-O-β-D-キシロピラノシル-β-D-グルコピラノシル)オキシ]-2-フェニル-4H-1-ベンゾピラン-4-オン
  • 2-フェニル-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}-4H-クロメン-4-オン
  • 2-phenyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
Other name (3)：
  • 3-[(6-O-β-D-Xylopyranosyl-β-D-glucopyranosyl)oxy]-2-phenyl-4H-1-benzopyran-4-one
  • Flavonol 3-O-D-xylosylglucoside
  • フラボノール3-O-D-キシロシルグルコシド
KEGG COMPOUND： C04068
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