Chem
J-GLOBAL ID：201007009685626347   Nikkaji number：J2.799.436I

Pelargonidin 3-O-(6-caffeoyl-β-D-glucoside)

ペラルゴニジン3-O-(6-カフェオイル-β-D-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： C30H27O12[O+]
Molecular formula furigana： C30-H27-O13
Molecular weight： 595.532
InChI： InChI=1S/C30H26O13/c31-16-5-3-15(4-6-16)29-23(12-18-20(34)10-17(32)11-22(18)41-29)42-30-28(39)27(38)26(37)24(43-30)13-40-25(36)8-2-14-1-7-19(33)21(35)9-14/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1/t24-,26-,27+,28-,30-/m1/s1
InChI key： OUWGZZOPFVOIFO-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)cc2)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 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]-2-(4-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)-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-2-(4-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-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ4-chromen-1-ylium
Other name (3)：
  • 3-[6-O-[3-(3,4-Dihydroxyphenyl)propenoyl]-β-D-glucopyranosyloxy]-2-(4-hydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium
  • Pelargonidin 3-O-(6-caffeoyl-β-D-glucoside)
  • ペラルゴニジン3-O-(6-カフェオイル-β-D-グルコシド)
KEGG COMPOUND： C16297
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