IUPAC 名称
5-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
描述
Malonylshisonin is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Malonylshisonin can be found in a number of food items such as blackcurrant, cherry tomato, star fruit, and pineappple sage, which makes malonylshisonin a potential biomarker for the consumption of these food products.
InChI标识符
InChI=1S/C39H40O20/c40-19-6-3-17(4-7-19)2-1-9-53-15-27-31(47)33(49)36(52)39(58-27)57-26-13-21-24(55-37(26)18-5-8-22(42)23(43)10-18)11-20(41)12-25(21)56-38-35(51)34(50)32(48)28(59-38)16-54-30(46)14-29(44)45/h1-8,10-13,27-28,31-36,38-39,47-52H,9,14-16H2,(H4-,40,41,42,43,44,45)/p+1