Chem
J-GLOBAL ID:200907050776262061   Nikkaji number:J2.105.611A

2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[2-O-(4-O-acetyl-α-L-rhamnopyranosyl)-β-D-glucopyranuronosyloxy]-4H-1-benzopyran-4-one

ルテオリン7-O-[2-O-(4-O-アセチル-α-ラムノピラノシル)-β-グルクロノピラノシド]
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: C29H30O17
Molecular formula furigana: C29-H30-O17
Molecular weight: 650.542
InChI: InChI=1S/C29H30O17/c1-9-24(42-10(2)30)22(37)23(38)28(41-9)46-26-21(36)20(35)25(27(39)40)45-29(26)43-12-6-15(33)19-16(34)8-17(44-18(19)7-12)11-3-4-13(31)14(32)5-11/h3-9,20-26,28-29,31-33,35-38H,1-2H3,(H,39,40)/t9-,20-,21-,22-,23+,24-,25-,26+,28-,29+/m0/s1
InChI key: HBLASUZVCZYBQF-YCMIQHPXSA-N
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)oc(cc4=O)c3ccc(O)c(O)c3)O[C@@H]([C@@H](O)[C@@H]2O)C(=O)O)[C@H](O)[C@H](O)[C@H]1OC(=O)C
Systematic name  (3):
  • 2-(3,4-ジヒドロキシフェニル)-5-ヒドロキシ-7-[2-O-(4-O-アセチル-α-L-ラムノピラノシル)-β-D-グルコピラヌロノシルオキシ]-4H-1-ベンゾピラン-4-オン
  • (2S,3S,4S,5R,6S)-5-{[(2S,3R,4S,5R,6S)-5-(アセチルオキシ)-3,4-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6-{[2-(3,4-ジ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}-3,4-ジヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6S)-5-{[(2S,3R,4S,5R,6S)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid
Other name (2):
  • 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[2-O-(4-O-acetyl-α-L-rhamnopyranosyl)-β-D-glucopyranuronosyloxy]-4H-1-benzopyran-4-one
  • ルテオリン7-O-[2-O-(4-O-アセチル-α-ラムノピラノシル)-β-グルクロノピラノシド]
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