Chem
J-GLOBAL ID：200907023430952617   Nikkaji number：J1.151.716A

3-[[6-O-(1,3-Dioxo-3-hydroxypropyl)-β-D-glucopyranosyl]oxy]-5′-methoxy-3′,4′,5,7-tetrahydroxyflavylium

3-[[6-O-(1,3-ジオキソ-3-ヒドロキシプロピル)-β-D-グルコピラノシル]オキシ]-5′-メトキシ-3′,4′,5,7-テトラヒドロキシフラビリウム
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： C25H25O14[O+]
Molecular formula furigana： C25-H25-O15
Molecular weight： 565.459
InChI： InChI=1S/C25H24O15/c1-36-15-3-9(2-13(28)20(15)32)24-16(6-11-12(27)4-10(26)5-14(11)38-24)39-25-23(35)22(34)21(33)17(40-25)8-37-19(31)7-18(29)30/h2-6,17,21-23,25,33-35H,7-8H2,1H3,(H4-,26,27,28,29,30,32)/p+1/t17-,21-,22+,23-,25-/m1/s1
InChI key： IAXXCVQRJLGMLV-XIRKIXBGSA-O
SMILES： COc1cc(cc(O)c1O)c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 3-[[6-O-(1,3-ジオキソ-3-ヒドロキシプロピル)-β-D-グルコピラノシル]オキシ]-5′-メトキシ-3′,4′,5,7-テトラヒドロキシフラビリウム
  • 2-(3,4-ジヒドロキシ-5-メトキシフェニル)-5,7-ジヒドロキシ-3-[6-O-(3-オキソ-3-ヒドロキシプロパノイル)-β-D-グルコピラノシルオキシ]-1-ベンゾピリリウム
  • 3-{[(2S,3R,4S,5S,6R)-6-{[(2-カルボキシアセチル)オキシ]メチル}-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-2-(3,4-ジヒドロキシ-5-メトキシフェニル)-5,7-ジヒドロキシ-1λ4-クロメン-1-イリウム
  • 3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1λ4-chromen-1-ylium
Other name (2)：
  • 3-[[6-O-(1,3-Dioxo-3-hydroxypropyl)-β-D-glucopyranosyl]oxy]-5′-methoxy-3′,4′,5,7-tetrahydroxyflavylium
  • 2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[6-O-(3-oxo-3-hydroxypropanoyl)-β-D-glucopyranosyloxy]-1-benzopyrylium
Thsaurus map：
Thesaurus Map

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