Chem
J-GLOBAL ID:200907092823259575   Nikkaji number:J1.558.008I

6-Hydroxycyanidin 3-malonylglucoside

6-ヒドロキシシアニジン3-マロニルグルコシド
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: C24H23O14[O+]
Molecular formula furigana: C24-H23-O15
Molecular weight: 551.432
InChI: InChI=1S/C24H22O15/c25-10-2-1-8(3-11(10)26)23-14(4-9-13(37-23)5-12(27)19(32)18(9)31)38-24-22(35)21(34)20(33)15(39-24)7-36-17(30)6-16(28)29/h1-5,15,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,31,32)/p+1/t15-,20-,21+,22-,24-/m1/s1
InChI key: WFOUPMJWHMPTML-ZRYVYJFNSA-O
SMILES: O[C@@H]1[C@@H](COC(=O)CC(=O)O)O[C@@H](Oc2cc3c(O)c(O)c(O)cc3[o+]c2c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Systematic name  (5):
  • 3-[[6-O-(カルボキシアセチル)-β-D-グルコピラノシル]オキシ]-2-(3,4-ジヒドロキシフェニル)-5,6,7-トリヒドロキシ-1-ベンゾピリリウム
  • 3′,4′,5,6,7-ペンタヒドロキシ-3-[[6-O-(3-ヒドロキシ-1,3-ジオキソプロピル)-β-D-グルコピラノシル]オキシ]フラビリウム
  • 2-(3,4-ジヒドロキシフェニル)-3-[[6-O-(3-ヒドロキシ-1,3-ジオキソプロピル)-β-D-グルコピラノシル]オキシ]-5,6,7-トリヒドロキシ-1-ベンゾピリリウム
  • 3-{[(2S,3R,4S,5S,6R)-6-{[(2-カルボキシアセチル)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}-2-(3,4-ジヒドロキシフェニル)-5,6,7-トリヒドロキシ-1λ4-クロメン-1-イリウム
  • 3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-1λ4-chromen-1-ylium
Other name (7):
  • 3-[[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-1-benzopyrylium
  • 3′,4′,5,6,7-Pentahydroxy-3-[[6-O-(3-hydroxy-1,3-dioxopropyl)-β-D-glucopyranosyl]oxy]flavylium
  • 2-(3,4-Dihydroxyphenyl)-3-[[6-O-(3-hydroxy-1,3-dioxopropyl)-β-D-glucopyranosyl]oxy]-5,6,7-trihydroxy-1-benzopyrylium
  • 6-Hydroxycyanidin 3-malonylglucoside
  • 6-ヒドロキシシアニジン3-マロニルグルコシド
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