Chem
J-GLOBAL ID：201007028429556549   Nikkaji number：J2.795.024H

Flavonol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside

フラボノール3-O-D-グルコシル-(1→2)-β-D-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： C27H30O13
Molecular formula furigana： C27-H30-O13
Molecular weight： 562.524
InChI： InChI=1S/C27H30O13/c28-10-15-18(31)20(33)22(35)26(37-15)40-25-21(34)19(32)16(11-29)38-27(25)39-24-17(30)13-8-4-5-9-14(13)36-23(24)12-6-2-1-3-7-12/h1-9,15-16,18-22,25-29,31-35H,10-11H2/t15-,16-,18-,19-,20+,21+,22-,25-,26+,27+/m1/s1
InChI key： JTDCBLLHQWIXFM-OWNIHXIWSA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2c(oc3ccccc3c2=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 3-[(2-O-β-D-グルコピラノシル-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
  • 3-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-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}オキサン-2-イル]オキシ}-2-フェニル-4H-クロメン-4-オン
  • 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-phenyl-4H-chromen-4-one
Other name (3)：
  • 3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2-phenyl-4H-1-benzopyran-4-one
  • Flavonol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside
  • フラボノール3-O-D-グルコシル-(1→2)-β-D-グルコシド
KEGG COMPOUND： C15581
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