Chem
J-GLOBAL ID：200907004913741671   Nikkaji number：J2.418.075A

Delphinidin 3-O-sophoroside

デルフィニジン3-O-ソフォロシド
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： C27H31O16[O+]
Molecular formula furigana： C27-H31-O17
Molecular weight： 627.527
InChI： InChI=1S/C27H30O17/c28-6-16-19(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34)/p+1/t16-,17-,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1
InChI key： UYLDMCQVSGIZMI-ROOKUYIKSA-O
SMILES： OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc4c(O)cc(O)cc4[o+]c3c3cc(O)c(O)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • 3-[(2-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
  • 3-[(2-O-β-D-グルコピラノシル-β-D-グルコピラノシル)オキシ]-2-(3,4,5-トリヒドロキシフェニル)-5,7-ジヒドロキシ-1-ベンゾピリリウム
  • 3-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(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}オキサン-2-イル]オキシ}-5,7-ジヒドロキシ-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
  • 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ4-chromen-1-ylium
Other name (4)：
  • 3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-3′,4′,5,5′,7-pentahydroxyflavylium
  • 3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2-(3,4,5-trihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium
  • Delphinidin 3-O-sophoroside
  • デルフィニジン3-O-ソフォロシド
KEGG COMPOUND： C16307
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