Chem
J-GLOBAL ID：200907088334863357   Nikkaji number：J1.327.068F

3-[6-O-[2-O,3-O-(1-Methyl-3-oxo-3-hydroxypropylidene)-6-deoxy-α-L-mannopyranosyl]-β-D-glucopyranosyloxy]-3′,4′,5,7-tetrahydroxyflavone

3-[6-O-[2-O,3-O-(1-メチル-3-オキソ-3-ヒドロキシプロピリデン)-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]-3′,4′,5,7-テトラヒドロキシフラボン
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： C31H34O18
Molecular formula furigana： C31-H34-O18
Molecular weight： 694.595
InChI： InChI=1S/C31H34O18/c1-10-20(38)27-28(49-31(2,48-27)8-18(36)37)30(44-10)43-9-17-21(39)23(41)24(42)29(46-17)47-26-22(40)19-15(35)6-12(32)7-16(19)45-25(26)11-3-4-13(33)14(34)5-11/h3-7,10,17,20-21,23-24,27-30,32-35,38-39,41-42H,8-9H2,1-2H3,(H,36,37)/t10-,17+,20-,21+,23-,24+,27+,28+,29-,30+,31?/m0/s1
InChI key： YXFTXOZKHUHZOQ-KNRTWYGBSA-N
SMILES： C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2OC(C)(CC(=O)O)O[C@@H]2[C@H]1O
Systematic name  (3)：
  • 3-[6-O-[2-O,3-O-(1-メチル-3-オキソ-3-ヒドロキシプロピリデン)-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]-3′,4′,5,7-テトラヒドロキシフラボン
  • 2-[(3aR,4R,6S,7S,7aR)-4-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-4-オキソ-4H-クロメン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-7-ヒドロキシ-2,6-ジメチル-ヘキサヒドロ-[1,3]ジオキソロ[4,5-c]ピラン-2-イル]酢酸
  • 2-[(3aR,4R,6S,7S,7aR)-4-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-7-hydroxy-2,6-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-2-yl]acetic acid
Other name (1)：
  • 3-[6-O-[2-O,3-O-(1-Methyl-3-oxo-3-hydroxypropylidene)-6-deoxy-α-L-mannopyranosyl]-β-D-glucopyranosyloxy]-3′,4′,5,7-tetrahydroxyflavone
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