Chem
J-GLOBAL ID：200907094896893909   Nikkaji number：J2.030.869I

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-8-β-D-glucopyranosyl-1-benzopyrylium

2-(3,4-ジヒドロキシフェニル)-3,5,7-トリヒドロキシ-8-β-D-グルコピラノシル-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： C21H21O10[O+]
Molecular formula furigana： C21-H21-O11
Molecular weight： 449.387
InChI： InChI=1S/C21H20O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-5,14,16-18,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t14-,16-,17+,18-,21+/m1/s1
InChI key： PUUAQFPUOLKBHA-OACYRQNASA-O
SMILES： OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2cc(O)c([o+]c12)c1ccc(O)c(O)c1
Systematic name  (3)：
  • 2-(3,4-ジヒドロキシフェニル)-3,5,7-トリヒドロキシ-8-β-D-グルコピラノシル-1-ベンゾピリリウム
  • 2-(3,4-ジヒドロキシフェニル)-3,5,7-トリヒドロキシ-8-[(2S,3R,4R,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]-1λ4-クロメン-1-イリウム
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1λ4-chromen-1-ylium
Other name (1)：
  • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-8-β-D-glucopyranosyl-1-benzopyrylium
Thsaurus map：
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