Chem
J-GLOBAL ID：200907013380600972   Nikkaji number：J1.438.348D

3-(β-D-Glucopyranuronosyloxy)-5,7-dihydroxy-2-(3,4-dihydroxy-5-methoxyphenyl)-1-benzopyrylium

3-(β-D-グルコピラヌロノシルオキシ)-5,7-ジヒドロキシ-2-(3,4-ジヒドロキシ-5-メトキシフェニル)-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： C22H21O12[O+]
Molecular formula furigana： C22-H21-O13
Molecular weight： 493.396
InChI： InChI=1S/C22H20O13/c1-32-13-3-7(2-11(25)15(13)26)19-14(6-9-10(24)4-8(23)5-12(9)33-19)34-22-18(29)16(27)17(28)20(35-22)21(30)31/h2-6,16-18,20,22,27-29H,1H3,(H4-,23,24,25,26,30,31)/p+1/t16-,17-,18+,20-,22+/m0/s1
InChI key： NADLIEKVJPZGDQ-QSUZLTIMSA-O
SMILES： COc1cc(cc(O)c1O)c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O
Systematic name  (3)：
  • 3-(β-D-グルコピラヌロノシルオキシ)-5,7-ジヒドロキシ-2-(3,4-ジヒドロキシ-5-メトキシフェニル)-1-ベンゾピリリウム
  • 3-{[(2S,3R,4S,5S,6S)-6-カルボキシ-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,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1λ4-chromen-1-ylium
Other name (1)：
  • 3-(β-D-Glucopyranuronosyloxy)-5,7-dihydroxy-2-(3,4-dihydroxy-5-methoxyphenyl)-1-benzopyrylium
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