public_id

FDB018935

IUPAC 名称

ethyl 7,8,9-trihydroxy-3,5-dioxo-1H,2H,3H,5H-cyclopenta[c]isochromene-1-carboxylate

描述

Ethyl brevifolincarboxylate, also known as ebfc, belongs to isocoumarins and derivatives class of compounds. Those are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. Ethyl brevifolincarboxylate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Ethyl brevifolincarboxylate can be found in pomegranate, which makes ethyl brevifolincarboxylate a potential biomarker for the consumption of this food product.

CAS号

107646-82-2

异构

CCOC(=O)C1CC(=O)C2=C1C1=C(O)C(O)=C(O)C=C1C(=O)O2

InChI标识符

InChI=1S/C15H12O8/c1-2-22-14(20)6-4-8(17)13-10(6)9-5(15(21)23-13)3-7(16)11(18)12(9)19/h3,6,16,18-19H,2,4H2,1H3

键

JSEPSLOCPQODTM-UHFFFAOYSA-N

平均分子量

320.05321736

id

18942

含有化合物的食物

食物id	食物名称
151	Pomegranate