5-Chloro-2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one beta-D-glucopyranoside,化合物成分

5-Chloro-2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one beta-D-glucopyranoside

public_id

FDB007629

IUPAC 名称

5-chloro-7-methoxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

描述

5-chloro-2-hydroxy-7-methoxy-2h-1,4-benzoxazin-3(4h)-one beta-d-glucopyranoside is soluble (in water) and a very weakly acidic compound (based on its pKa). 5-chloro-2-hydroxy-7-methoxy-2h-1,4-benzoxazin-3(4h)-one beta-d-glucopyranoside can be found in corn, which makes 5-chloro-2-hydroxy-7-methoxy-2h-1,4-benzoxazin-3(4h)-one beta-d-glucopyranoside a potential biomarker for the consumption of this food product.

CAS号

异构

COC1=CC2=C(NC(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C(Cl)=C1

InChI标识符

InChI=1S/C15H18ClNO9/c1-23-5-2-6(16)9-7(3-5)24-15(13(22)17-9)26-14-12(21)11(20)10(19)8(4-18)25-14/h2-3,8,10-12,14-15,18-21H,4H2,1H3,(H,17,22)/t8-,10-,11+,12-,14+,15?/m1/s1

键

KBVVPFFIPFKXPL-BOBQXRSHSA-N

平均分子量

391.067008886

id

7630

含有化合物的食物