public_id

FDB001833

IUPAC 名称

(2S)-3-hydroxy-2-(2-nitrophenyl)-1,2,3,4-tetrahydroquinazolin-4-one

描述

Theasaponin e3 is a member of the class of compounds known as quinazolines. Quinazolines are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. Theasaponin e3 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Theasaponin e3 can be found in tea, which makes theasaponin e3 a potential biomarker for the consumption of this food product.

CAS号

876315-02-5

异构

ON1[C@H](NC2=CC=CC=C2C1=O)C1=CC=CC=C1[N+]([O-])=O

InChI标识符

InChI=1S/C14H11N3O4/c18-14-9-5-1-3-7-11(9)15-13(16(14)19)10-6-2-4-8-12(10)17(20)21/h1-8,13,15,19H/t13-/m0/s1

键

FNBGTIABOVYVKH-ZDUSSCGKSA-N

平均分子量

285.074955855

id

1833

含有化合物的食物

食物id	食物名称
38	Tea
957	Red tea
1021	Herbal tea
940	Green tea
939	Black tea