Chem
J-GLOBAL ID：200907024668437989   Nikkaji number：J704.425I

3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-3′,4′,5,5′,7-pentahydroxyflavylium

3-[(6-O-β-D-グルコピラノシル-β-D-グルコピラノシル)オキシ]-3′,4′,5,5′,7-ペンタヒドロキシフラビリウム
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： C27H31O16[O+]
Molecular formula furigana： C27-H31-O17
Molecular weight： 627.527
InChI： InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
InChI key： WIIMVXRNTVGXEQ-LCENJUANSA-O
SMILES： OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • 3′,4′,5,5′,7-ペンタヒドロキシ-3-[(6-O-β-D-グルコピラノシル-β-D-グルコピラノシル)オキシ]アントシアニジン
  • 3-[(6-O-β-D-グルコピラノシル-β-D-グルコピラノシル)オキシ]-3′,4′,5,5′,7-ペンタヒドロキシフラビリウム
  • 5,7-ジヒドロキシ-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2R,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}メチル)オキサン-2-イル]オキシ}-2-(3,4,5-トリヒドロキシフェニル)-1λ4-クロメン-1-イリウム
  • 5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ4-chromen-1-ylium
Other name (2)：
  • 3′,4′,5,5′,7-Pentahydroxy-3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]anthocyanidin
  • 3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-3′,4′,5,5′,7-pentahydroxyflavylium
Thsaurus map：
Thesaurus Map

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