Chem
J-GLOBAL ID：200907035799852380   Nikkaji number：J1.290.199B

2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-[[6-O-(coumarin-3-yl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-1-benzopyrylium

2-(4-ヒドロキシ-3,5-ジメトキシフェニル)-3-[[6-O-(クマリン-3-イル)-β-D-グルコピラノシル]オキシ]-5,7-ジヒドロキシ-1-ベンゾピリリウム
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： C32H29O13[O+]
Molecular formula furigana： C32-H29-O14
Molecular weight： 637.569
InChI： InChI=1S/C32H28O14/c1-40-21-8-15(9-22(41-2)26(21)35)30-23(12-17-18(34)10-16(33)11-20(17)43-30)45-32-29(38)28(37)27(36)25(46-32)13-42-24-7-14-5-3-4-6-19(14)44-31(24)39/h3-12,25,27-29,32,36-38H,13H2,1-2H3,(H2-,33,34,35)/p+1/t25-,27-,28+,29-,32-/m1/s1
InChI key： FNCWFPKWZYBXIH-ZDPOQHKJSA-O
SMILES： COc1cc(cc(OC)c1O)c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COc2cc3ccccc3oc2=O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-(4-ヒドロキシ-3,5-ジメトキシフェニル)-3-[[6-O-(クマリン-3-イル)-β-D-グルコピラノシル]オキシ]-5,7-ジヒドロキシ-1-ベンゾピリリウム
  • 5,7-ジヒドロキシ-2-(4-ヒドロキシ-3,5-ジメトキシフェニル)-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-{[(2-オキソ-2H-クロメン-3-イル)オキシ]メチル}オキサン-2-イル]オキシ}-1λ4-クロメン-1-イリウム
  • 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-{[(2-oxo-2H-chromen-3-yl)oxy]methyl}oxan-2-yl]oxy}-1λ4-chromen-1-ylium
Other name (1)：
  • 2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-[[6-O-(coumarin-3-yl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-1-benzopyrylium
Thsaurus map：
Thesaurus Map

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