Chem
J-GLOBAL ID：201007086831968519   Nikkaji number：J2.802.462B

Cyanidin 3-(6-p-caffeoyl)glucoside

シアニジン3-(6-p-カフェオイル)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： C30H27O13[O+]
Molecular formula furigana： C30-H27-O14
Molecular weight： 611.531
InChI： InChI=1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t24-,26-,27+,28-,30-/m1/s1
InChI key： RTVUMLBJQCCROY-SHPGVJHPSA-O
SMILES： O[C@@H]1[C@@H](COC(=O)C=Cc2ccc(O)c(O)c2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-(3,4-ジヒドロキシフェニル)-3-[[6-O-[3-(3,4-ジヒドロキシフェニル)プロペノイル]-β-D-グルコピラノシル]オキシ]-5,7-ジヒドロキシ-1-ベンゾピリリウム
  • 2-(3,4-ジヒドロキシフェニル)-3-{[(2S,3R,4S,5S,6R)-6-({[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]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}-5,7-ジヒドロキシ-1λ4-クロメン-1-イリウム
  • 2-(3,4-dihydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-1λ4-chromen-1-ylium
Other name (3)：
  • 2-(3,4-Dihydroxyphenyl)-3-[[6-O-[3-(3,4-dihydroxyphenyl)propenoyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-1-benzopyrylium
  • Cyanidin 3-(6-p-caffeoyl)glucoside
  • シアニジン3-(6-p-カフェオイル)グルコシド
KEGG COMPOUND： C16369
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