public_id

FDB030633

IUPAC 名称

[9-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}nonylidene]amino sulfate

描述

8-methylthiooctyl glucosinolate is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). 8-methylthiooctyl glucosinolate can be found in a number of food items such as mandarin orange (clementine, tangerine), rosemary, cottonseed, and poppy, which makes 8-methylthiooctyl glucosinolate a potential biomarker for the consumption of these food products.

CAS号

异构

CSCCCCCCCCC(SC1OC(CO)C(O)C(O)C1O)=NOS([O-])(=O)=O

InChI标识符

InChI=1S/C16H31NO9S3/c1-27-9-7-5-3-2-4-6-8-12(17-26-29(22,23)24)28-16-15(21)14(20)13(19)11(10-18)25-16/h11,13-16,18-21H,2-10H2,1H3,(H,22,23,24)/p-1

键

CWOJBEDMJKZKAB-UHFFFAOYSA-M

平均分子量

476.108818652

id

30796

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