Chem
J-GLOBAL ID:200907032440260232   Nikkaji number:J489.657B

Myricetin 3-rutinoside

ミリセチン3-ルチノシド
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: C27H30O17
Molecular formula furigana: C27-H30-O17
Molecular weight: 626.520
InChI: InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3/t7-,14+,16-,18+,20+,21-,22+,23+,26+,27-/m0/s1
InChI key: QCIILLDRJZPUDI-PHTGNFSXSA-N
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (7):
  • 2-(3,4,5-トリヒドロキシフェニル)-3-[6-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシルオキシ]-5,7-ジヒドロキシ-4H-1-ベンゾピラン-4-オン
  • 3-[[6-O-(6-デオキシ-α-L-マンノピラノシル)-β-D-グルコピラノシル]オキシ]-5,7-ジヒドロキシ-2-(3,4,5-トリヒドロキシフェニル)-4H-1-ベンゾピラン-4-オン
  • 3′,4′,5,5′,7-ペンタヒドロキシ-3-[(6-O-α-L-ラムノピラノシル-β-D-グルコピラノシル)オキシ]フラボン
  • 3-[(6-O-α-L-ラムノピラノシル-β-D-グルコピラノシル)オキシ]-3′,4′,5,5′,7-ペンタヒドロキシフラボン
  • 3-[[6-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシル]オキシ]-3′,4′,5,5′,7-ペンタヒドロキシフラボン
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Other name (6):
  • ミリセチン3-ルチノシド
  • Myricetin 3-rutinoside
  • 3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
  • 3′,4′,5,5′,7-Pentahydroxy-3-[(6-O-α-L-rhamnopyranosyl-β-D-glucopyranosyl)oxy]flavone
  • 3-[(6-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyl)oxy]-3′,4′,5,5′,7-pentahydroxyflavone
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