Chem
J-GLOBAL ID：200907091552861260
Nikkaji number：J221.582I
Cyanidin 3-glucoside
シアニジン3-グルコシド
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
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
Molecular formula： C21H21O10[O+]
Molecular formula furigana： C21-H21-O11
Molecular weight： 449.387
InChI：
InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1
InChI key：
RKWHWFONKJEUEF-GQUPQBGVSA-O
SMILES：
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (14)：
- 3′,4′,5,7-テトラヒドロキシ-3-(β-D-グルコピラノシルオキシ)アントシアニジン
- 3′,4′,5,7-テトラヒドロキシ-3-[(β-D-グルコピラノシル)オキシ]フラビリウム
- 3-(β-D-グルコピラノシルオキシ)-5,7-ジヒドロキシ-2-(3,4-ジヒドロキシフェニル)-1-ベンゾピリリウム
- 3-β-D-グルコピラノシルオキシ-5,7-ジヒドロキシ-2-(3,4-ジヒドロキシフェニル)-1-ベンゾピリリウム
- 2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-3-(β-D-グルコピラノシルオキシ)-1-ベンゾピリリウム
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- 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium
- 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(β-D-glucopyranosyloxy)-1-benzopyrylium
- 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl β-D-glucopyranoside
- 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxychromenylium
- 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-1-benzopyrylium-5,7-diol
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