Chem
J-GLOBAL ID：200907015985106212   Nikkaji number：J1.327.073B

3-[6-O-[4-O-(4-Oxo-4-hydroxybutyryl)-6-deoxy-α-L-mannopyranosyl]-β-D-glucopyranosyloxy]-3′,4′,5,7-tetrahydroxyflavone

3-[6-O-[4-O-(4-オキソ-4-ヒドロキシブチリル)-6-デオキシ-α-L-マンノピラノシル]-β-D-グルコピラノシルオキシ]-3′,4′,5,7-テトラヒドロキシフラボン
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： C31H34O19
Molecular formula furigana： C31-H34-O19
Molecular weight： 710.594
InChI： InChI=1S/C31H34O19/c1-10-27(49-19(38)5-4-18(36)37)24(42)26(44)30(46-10)45-9-17-21(39)23(41)25(43)31(48-17)50-29-22(40)20-15(35)7-12(32)8-16(20)47-28(29)11-2-3-13(33)14(34)6-11/h2-3,6-8,10,17,21,23-27,30-35,39,41-44H,4-5,9H2,1H3,(H,36,37)/t10-,17+,21+,23-,24-,25+,26+,27-,30+,31-/m0/s1
InChI key： MCQUEYFDVUWKHE-IHPCKKTESA-N
SMILES： C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1OC(=O)CCC(=O)O
Systematic name  (3)：
  • 3-[6-O-[4-O-(4-オキソ-4-ヒドロキシブチリル)-6-デオキシ-α-L-マンノピラノシル]-β-D-グルコピラノシルオキシ]-3′,4′,5,7-テトラヒドロキシフラボン
  • 4-{[(2S,3R,4S,5R,6R)-6-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-4-オキソ-4H-クロメン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-4,5-ジヒドロキシ-2-メチルオキサン-3-イル]オキシ}-4-オキソブタン酸
  • 4-{[(2S,3R,4S,5R,6R)-6-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-4-oxobutanoic acid
Other name (1)：
  • 3-[6-O-[4-O-(4-Oxo-4-hydroxybutyryl)-6-deoxy-α-L-mannopyranosyl]-β-D-glucopyranosyloxy]-3′,4′,5,7-tetrahydroxyflavone
Thsaurus map：
Thesaurus Map

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