public_id

FDB000249

IUPAC 名称

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

描述

3-feruloylquinic 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-feruloylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-feruloylquinic acid can be found in a number of food items such as carrot, peach (variety), apricot, and pear, which makes 3-feruloylquinic acid a potential biomarker for the consumption of these food products. .

CAS号

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=C1O

InChI标识符

InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1

键

RAGZUCNPTLULOL-KQJPBSFVSA-N

平均分子量

368.110732238

id

249

含有化合物的食物

食物id	食物名称
145	Sweet cherry
83	Strawberry
146	Sour cherry
160	Rubus (Blackberry, Raspberry)
60	Robusta coffee
156	Redcurrant
152	Pear
230	Peach (var.)
257	Jostaberry
191	Highbush blueberry
157	Gooseberry
147	European plum
205	Corn
58	Coffee
245	Carrot
155	Blackcurrant
59	Arabica coffee
144	Apricot
105	Apple