Chem
J-GLOBAL ID：200907060453506552   Nikkaji number：J1.953.767F

3-(4-Hydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-4H-1-benzopyran-4-one

3-(4-ヒドロキシフェニル)-5-(β-D-グルコピラノシルオキシ)-7-ヒドロキシ-4H-1-ベンゾピラン-4-オン
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： C21H20O10
Molecular formula furigana： C21-H20-O10
Molecular weight： 432.381
InChI： InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-14-6-11(24)5-13-16(14)17(25)12(8-29-13)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
InChI key： TXLQONQJSWSJJX-CMWLGVBASA-N
SMILES： OC[C@H]1O[C@@H](Oc2cc(O)cc3occ(c4ccc(O)cc4)c(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 3-(4-ヒドロキシフェニル)-5-(β-D-グルコピラノシルオキシ)-7-ヒドロキシ-4H-1-ベンゾピラン-4-オン
  • 7-ヒドロキシ-3-(4-ヒドロキシフェニル)-5-{[(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}-4H-クロメン-4-オン
  • 7-hydroxy-3-(4-hydroxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Other name (1)：
  • 3-(4-Hydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-4H-1-benzopyran-4-one
Thsaurus map：
Thesaurus Map

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