IUPAC 名称
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
描述
3-p-coumaroylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 3-p-coumaroylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-p-coumaroylquinic acid can be found in a number of food items such as redcurrant, highbush blueberry, sweet cherry, and blackcurrant, which makes 3-p-coumaroylquinic acid a potential biomarker for the consumption of these food products.
InChI标识符
InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1