Chem
J-GLOBAL ID：200907009025429238   Nikkaji number：J1.403.769A

Poncirenin

ポンシレニン
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： C22H24O10
Molecular formula furigana： C22-H24-O10
Molecular weight： 448.424
InChI： InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3/t15?,17-,19-,20+,21-,22-/m1/s1
InChI key： KEEWIHDTSNESJZ-KTTVMXGCSA-N
SMILES： COc1ccc(cc1)C1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O1
Systematic name  (3)：
  • 2-(4-メトキシフェニル)-5-ヒドロキシ-7-(β-D-グルコピラノシルオキシ)-2,3-ジヒドロ-4H-1-ベンゾピラン-4-オン
  • 5-ヒドロキシ-2-(4-メトキシフェニル)-7-{[(2S,3R,4S,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]オキシ}-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • 5-hydroxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3)：
  • 2-(4-Methoxyphenyl)-5-hydroxy-7-(β-D-glucopyranosyloxy)-2,3-dihydro-4H-1-benzopyran-4-one
  • ポンシレニン
  • Poncirenin
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