Chem
J-GLOBAL ID：200907065426370403   Nikkaji number：J1.900.703K

Apigenin 6-C-glucosyl-7-O-(6-malyl-glucoside)

アピゲニン6-C-グルコシル-7-O-(6-マリルグルコシド)
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： C31H34O19
Molecular formula furigana： C31-H34-O19
Molecular weight： 710.594
InChI： InChI=1S/C31H34O19/c32-8-17-22(37)25(40)27(42)29(48-17)21-16(7-15-20(24(21)39)12(34)5-14(47-15)10-1-3-11(33)4-2-10)49-31-28(43)26(41)23(38)18(50-31)9-46-19(36)6-13(35)30(44)45/h1-5,7,13,17-18,22-23,25-29,31-33,35,37-43H,6,8-9H2,(H,44,45)/t13?,17-,18-,22-,23-,25+,26+,27-,28-,29+,31-/m1/s1
InChI key： DQHONSTZNOARKJ-QNGLSYSOSA-N
SMILES： OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O[C@@H]2O[C@H](COC(=O)CC(O)C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(cc(=O)c2c1O)c1ccc(O)cc1
Systematic name  (3)：
  • 2-(4-ヒドロキシフェニル)-6-(β-D-グルコピラノシル)-7-[[6-O-(3,4-ジヒドロキシ-1,4-ジオキソブチル)-β-D-グルコピラノシル]オキシ]-5-ヒドロキシ-4H-1-ベンゾピラン-4-オン
  • 2-ヒドロキシ-4-オキソ-4-{[(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-{[5-ヒドロキシ-2-(4-ヒドロキシフェニル)-4-オキソ-6-[(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]-4H-クロメン-7-イル]オキシ}オキサン-2-イル]メトキシ}ブタン酸
  • 2-hydroxy-4-oxo-4-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}butanoic acid
Other name (3)：
  • 2-(4-Hydroxyphenyl)-6-(β-D-glucopyranosyl)-7-[[6-O-(3,4-dihydroxy-1,4-dioxobutyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-4H-1-benzopyran-4-one
  • Apigenin 6-C-glucosyl-7-O-(6-malyl-glucoside)
  • アピゲニン6-C-グルコシル-7-O-(6-マリルグルコシド)
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