Chem
J-GLOBAL ID：201007018819289287
Nikkaji number：J2.805.304E
3-(β-D-Glucopyranosyloxy)-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-(1-hydroxyethyl)-5,7-dihydroxy-8-[1-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-1-benzopyran-8-yl]ethyl]-1-benzopyrylium
ヒドロキシエチル-マルビジン-3-グルコシド-エチル-エピカテキン
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： C42H45O18[O+]
Molecular formula furigana： C42-H45-O19
Molecular weight： 853.802
InChI：
InChI=1S/C42H44O19/c1-14(29-23(48)12-21(46)18-10-24(49)38(60-40(18)29)16-5-6-20(45)22(47)7-16)30-35(53)31(15(2)44)32(50)19-11-27(58-42-37(55)36(54)34(52)28(13-43)59-42)39(61-41(19)30)17-8-25(56-3)33(51)26(9-17)57-4/h5-9,11-12,14-15,24,28,34,36-38,42-44,49,52,54-55H,10,13H2,1-4H3,(H6-,45,46,47,48,50,51,53)/p+1/t14?,15?,24?,28-,34-,36+,37-,38?,42-/m1/s1
InChI key：
ZMRKTNVZUDMFMP-CQZBAMDMSA-O
SMILES：
COc1cc(cc(OC)c1O)c1[o+]c2c(C(C)c3c(O)cc(O)c4CC(O)C(Oc34)c3ccc(O)c(O)c3)c(O)c(C(C)O)c(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name (3)：
- 3-(β-D-グルコピラノシルオキシ)-2-(4-ヒドロキシ-3,5-ジメトキシフェニル)-6-(1-ヒドロキシエチル)-5,7-ジヒドロキシ-8-[1-[2-(3,4-ジヒドロキシフェニル)-3,5,7-トリヒドロキシ-2,3-ジヒドロ-4H-1-ベンゾピラン-8-イル]エチル]-1-ベンゾピリリウム
- 8-{1-[2-(3,4-ジヒドロキシフェニル)-3,5,7-トリヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-8-イル]エチル}-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)-6-(1-ヒドロキシエチル)-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}-1λ4-クロメン-1-イリウム
- 8-{1-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]ethyl}-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-(1-hydroxyethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ4-chromen-1-ylium
- 3-(β-D-Glucopyranosyloxy)-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-(1-hydroxyethyl)-5,7-dihydroxy-8-[1-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-1-benzopyran-8-yl]ethyl]-1-benzopyrylium
- ヒドロキシエチル-マルビジン-3-グルコシド-エチル-エピカテキン
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