3-Sinapoylquinic acid
IUPAC 名称
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
描述
3-sinapoylquinic 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-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-sinapoylquinic acid can be found in a number of food items such as sour cherry, sweet cherry, european plum, and peach (variety), which makes 3-sinapoylquinic acid a potential biomarker for the consumption of these food products. .
异构
COC1=CC(\C=C\C(=O)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O)C(O)=O)=CC(OC)=C1O
InChI标识符
InChI=1S/C18H22O10/c1-26-11-5-9(6-12(27-2)16(11)22)3-4-14(20)28-13-8-18(25,17(23)24)7-10(19)15(13)21/h3-6,10,13,15,19,21-22,25H,7-8H2,1-2H3,(H,23,24)/b4-3+/t10-,13-,15+,18-/m1/s1
键
DTJWTKVKHOJHJK-LTLLRWTCSA-N