Sinigrin,化合物成分

Sinigrin

public_id

FDB012319

IUPAC 名称

{[(E)-(1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}but-3-en-1-ylidene)amino]oxy}sulfonic acid

描述

Sinigrin is isolated from seeds of black mustard (Brassica nigra) and cabbage, as a K salt. It is found in many crucifers, major glucosinolate in Brussels sprouts (Brassica oleraceae).

CAS号

534-69-0

异构

OC[C@H]1O[C@@H](S\C(=N\OS(O)(=O)=O)CC=C)[C@H](O)[C@@H](O)[C@@H]1O

InChI标识符

InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1

键

PHZOWSSBXJXFOR-PTGZALFTSA-N

平均分子量

359.034472527

id

12322

含有化合物的食物

食物id	食物名称
420	White mustard
919	White cabbage
509	Wasabi
2	Savoy cabbage
153	Radish
673	Mustard
395	Kale
18	Horseradish
99	Garden cress
30	Common cabbage
27	Chinese mustard
31	Cauliflower
39	Capers
881	Cabbage
32	Brussel sprouts
34	Broccoli
887	Brassicas