Chem
J-GLOBAL ID:201007063618816012
Nikkaji number:J2.802.293J
Cyanidin 3-O-β-D-glucoside 5-O-(6-coumaroyl-β-D-glucoside)
シアニジン3-O-β-D-グルコシド5-O-(6-クマロイル-β-D-グルコシド)
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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:
C36 H37 O17 [O+]
Molecular formula furigana:
C36-H37-O18
Molecular weight:
757.673
InChI:
InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-4-7-20(40)21(41)9-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
InChI key:
NHTJKRAGLGHCLR-AQAMAIGXSA-O
SMILES:
OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](COC(=O)C=Cc5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (3):
2-(3,4-ジヒドロキシフェニル)-3-(β-D-グルコピラノシルオキシ)-5-[[6-O-[3-(4-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]-7-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)-7-ヒドロキシ-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}-5-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[3-(4-ヒドロキシフェニル)プロパ-2-エノイル]オキシ}メチル)オキサン-2-イル]オキシ}-1λ4 -クロメン-1-イリウム
2-(3,4-dihydroxyphenyl)-7-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ4 -chromen-1-ylium
Other name (3):
2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5-[[6-O-[3-(4-hydroxyphenyl)propenoyl]-β-D-glucopyranosyl]oxy]-7-hydroxy-1-benzopyrylium
Cyanidin 3-O-β-D-glucoside 5-O-(6-coumaroyl-β-D-glucoside)
シアニジン3-O-β-D-グルコシド5-O-(6-クマロイル-β-D-グルコシド)
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