Chem
J-GLOBAL ID：200907050459727270   Nikkaji number：J1.142.729D

3-(6-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyloxy)-5-(β-D-glucopyranosyloxy)-3′,4′,7-trihydroxy-5′-methoxyflavylium

3-(6-O-α-L-ラムノピラノシル-β-D-グルコピラノシルオキシ)-5-(β-D-グルコピラノシルオキシ)-3′,4′,7-トリヒドロキシ-5′-メトキシフラビリウム
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： C34H43O20[O+]
Molecular formula furigana： C34-H43-O21
Molecular weight： 787.696
InChI： InChI=1S/C34H42O21/c1-10-21(38)25(42)28(45)32(50-10)49-9-20-24(41)27(44)30(47)34(55-20)53-18-7-13-15(51-31(18)11-3-14(37)22(39)17(4-11)48-2)5-12(36)6-16(13)52-33-29(46)26(43)23(40)19(8-35)54-33/h3-7,10,19-21,23-30,32-35,38,40-47H,8-9H2,1-2H3,(H2-,36,37,39)/p+1/t10-,19+,20+,21-,23+,24+,25+,26-,27-,28+,29+,30+,32+,33+,34+/m0/s1
InChI key： MPTHMSBOMBFQPY-UUFGEYTLSA-O
SMILES： COc1cc(cc(O)c1O)c1[o+]c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2cc1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3-(6-O-α-L-ラムノピラノシル-β-D-グルコピラノシルオキシ)-5-(β-D-グルコピラノシルオキシ)-3′,4′,7-トリヒドロキシ-5′-メトキシフラビリウム
  • 2-(3,4-ジヒドロキシ-5-メトキシフェニル)-7-ヒドロキシ-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}-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}-1λ4-クロメン-1-イリウム
  • 2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ4-chromen-1-ylium
Other name (1)：
  • 3-(6-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyloxy)-5-(β-D-glucopyranosyloxy)-3′,4′,7-trihydroxy-5′-methoxyflavylium
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