Chem
J-GLOBAL ID：200907007253182029   Nikkaji number：J1.900.693J

Delphinidin 3-(6′′-O-4-malyl-glucosyl)-5-glucoside

デルフィニジン3-(6′′-O-4-マリルグルコシル)-5-グルコシド
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： C31H35O20[O+]
Molecular formula furigana： C31-H35-O21
Molecular weight： 743.599
InChI： InChI=1S/C31H34O21/c32-7-18-22(39)24(41)26(43)30(51-18)49-16-4-10(33)3-15-11(16)5-17(28(48-15)9-1-12(34)21(38)13(35)2-9)50-31-27(44)25(42)23(40)19(52-31)8-47-20(37)6-14(36)29(45)46/h1-5,14,18-19,22-27,30-32,36,39-44H,6-8H2,(H4-,33,34,35,38,45,46)/p+1/t14?,18-,19-,22-,23-,24+,25+,26-,27-,30-,31-/m1/s1
InChI key： PHTJSTPAIIRNLP-QAGIGJJWSA-O
SMILES： OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(c(O[C@@H]4O[C@H](COC(=O)CC(O)C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc23)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2-(3,4,5-トリヒドロキシフェニル)-3-[[6-O-(3,4-ジヒドロキシ-1,4-ジオキソブチル)-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)-7-ヒドロキシ-1-ベンゾピリリウム
  • 3-{[(2S,3R,4S,5S,6R)-6-{[(3-カルボキシ-3-ヒドロキシプロパノイル)オキシ]メチル}-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-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}-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)-6-{[(3-carboxy-3-hydroxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ4-chromen-1-ylium
Other name (3)：
  • 2-(3,4,5-Trihydroxyphenyl)-3-[[6-O-(3,4-dihydroxy-1,4-dioxobutyl)-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium
  • Delphinidin 3-(6′′-O-4-malyl-glucosyl)-5-glucoside
  • デルフィニジン3-(6′′-O-4-マリルグルコシル)-5-グルコシド
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