public_id

FDB017767

IUPAC 名称

{[(Z)-[2-(4-methoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxy}sulfonic acid

描述

4-methoxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 4-methoxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methoxyglucobrassicin can be found in a number of food items such as broccoli, chinese mustard, chinese cabbage, and capers, which makes 4-methoxyglucobrassicin a potential biomarker for the consumption of these food products.

CAS号

83327-21-3

异构

COC1=C2C(C\C(SC3OC(CO)C(O)C(O)C3O)=N\OS(O)(=O)=O)=CNC2=CC=C1

InChI标识符

InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/b19-12-

键

IIAGSABLXRZUSE-UNOMPAQXSA-N

平均分子量

478.071586314

id

17774

含有化合物的食物

食物id	食物名称
919	White cabbage
158	Watercress
36	Turnip
28	Swede
395	Kale
27	Chinese mustard
35	Chinese cabbage
31	Cauliflower
39	Capers
32	Brussel sprouts
34	Broccoli