public_id

FDB030483

IUPAC 名称

2-(hydroxymethyl)-6-[(4-methyl-3,5-dinitrophenyl)amino]oxane-3,4,5-triol

描述

4-amino-2,6-dinitrotoluene glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-amino-2,6-dinitrotoluene glucoside can be found in a number of food items such as yellow zucchini, garden onion (variety), jerusalem artichoke, and mung bean, which makes 4-amino-2,6-dinitrotoluene glucoside a potential biomarker for the consumption of these food products.

CAS号

异构

CC1=C(C=C(NC2OC(CO)C(O)C(O)C2O)C=C1[N+]([O-])=O)[N+]([O-])=O

InChI标识符

InChI=1S/C13H17N3O9/c1-5-7(15(21)22)2-6(3-8(5)16(23)24)14-13-12(20)11(19)10(18)9(4-17)25-13/h2-3,9-14,17-20H,4H2,1H3

键

YGGQRUODYYKCTL-UHFFFAOYSA-N

平均分子量

359.096479139

id

30646

含有化合物的食物

食物id	食物名称
137	Anise
1	Angelica
445	American pokeweed
192	American cranberry
319	American butterfish
289	Amaranth
412	Alpine sweetvetch
148	Almond
288	Allspice
5	Allium
287	Alfalfa
551	Alaska wild rhubarb
385	Alaska blueberry
577	Agave
285	Agar
198	Adzuki bean
283	Acorn
282	Acerola
281	Abiyuch
280	Abalone