Chem
J-GLOBAL ID：200907068994919494
Nikkaji number：J657.835G
Malvidin 3-(6-O-acetylglucoside)
マルビジン3-(6-O-アセチルグルコシド)
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： C25H27O12[O+]
Molecular formula furigana： C25-H27-O13
Molecular weight： 535.477
InChI：
InChI=1S/C25H26O13/c1-10(26)35-9-19-21(30)22(31)23(32)25(38-19)37-18-8-13-14(28)6-12(27)7-15(13)36-24(18)11-4-16(33-2)20(29)17(5-11)34-3/h4-8,19,21-23,25,30-32H,9H2,1-3H3,(H2-,27,28,29)/p+1/t19-,21-,22+,23-,25-/m1/s1
InChI key：
WGYWEDJQQFKGID-FGBFUVBKSA-O
SMILES：
COc1cc(cc(OC)c1O)c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]1O
Systematic name (4)：
- 2-(4-ヒドロキシ-3,5-ジメトキシフェニル)-3-[(6-O-アセチル-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-(4-ヒドロキシ-3,5-ジメトキシフェニル)-5,7-ジヒドロキシ-3-(6-O-アセチル-β-D-グルコピラノシルオキシ)-1-ベンゾピリリウム
- 3-{[(2S,3R,4S,5S,6R)-6-[(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}-5,7-ジヒドロキシ-2-(4-ヒドロキシ-3,5-ジメトキシフェニル)-1λ4-クロメン-1-イリウム
- 3-{[(2S,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1λ4-chromen-1-ylium
- 2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium
- 2-(4-Hydroxy-3,5-dimethoxyphenyl)-5,7-dihydroxy-3-(6-O-acetyl-β-D-glucopyranosyloxy)-1-benzopyrylium
- マルビジン3-(6-O-アセチルグルコシド)
- Malvidin 3-(6-O-acetylglucoside)
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