Chem
J-GLOBAL ID:200907003977815290   Nikkaji number:J2.471.143I

Luteolin 7-(2-O-glucuronosylglucuronide)4′-glucuronide

ルテオリン7-(2-O-グルクロノシルグルクロニド)4′-グルクロニド
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: C33H34O24
Molecular formula furigana: C33-H34-O24
Molecular weight: 814.611
InChI: InChI=1S/C33H34O24/c34-9-3-7(1-2-12(9)53-31-22(43)16(37)18(39)24(54-31)28(45)46)13-6-11(36)15-10(35)4-8(5-14(15)52-13)51-33-27(21(42)20(41)26(56-33)30(49)50)57-32-23(44)17(38)19(40)25(55-32)29(47)48/h1-6,16-27,31-35,37-44H,(H,45,46)(H,47,48)(H,49,50)/t16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27+,31+,32-,33+/m0/s1
InChI key: AEYXZGCDWDUIKX-OFFAAIFBSA-N
SMILES: O[C@H]1[C@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)oc(cc4=O)c3ccc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)c(O)c3)O[C@@H]([C@@H](O)[C@@H]2O)C(=O)O)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O
Systematic name  (4):
  • 2-[3-ヒドロキシ-4-(β-D-グルコピラヌロノシルオキシ)フェニル]-5-ヒドロキシ-4-オキソ-4H-1-ベンゾピラン-7-イル2-O-(β-D-グルコピラヌロノシル)-β-D-グルコピラノシドウロン酸
  • 4′-(β-D-グルコピラヌロノシルオキシ)-7-(2-O-β-D-グルコピラヌロノシル-β-D-グルコピラヌロノシルオキシ)-3′,5-ジヒドロキシフラボン
  • (2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5S,6S)-6-カルボキシ-2-{[2-(4-{[(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}-3-ヒドロキシフェニル)-5-ヒドロキシ-4-オキソ-4H-クロメン-7-イル]オキシ}-4,5-ジヒドロキシオキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5S,6S)-6-carboxy-2-{[2-(4-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (4):
  • 2-[3-Hydroxy-4-(β-D-glucopyranuronosyloxy)phenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-(β-D-glucopyranuronosyl)-β-D-glucopyranosiduronic acid
  • 4′-(β-D-Glucopyranuronosyloxy)-7-(2-O-β-D-glucopyranuronosyl-β-D-glucopyranuronosyloxy)-3′,5-dihydroxyflavone
  • ルテオリン7-(2-O-グルクロノシルグルクロニド)4′-グルクロニド
  • Luteolin 7-(2-O-glucuronosylglucuronide)4′-glucuronide
KEGG COMPOUND: C04900
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