public_id

FDB031060

IUPAC 名称

4-hydroxy-3-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)benzoate

描述

Nonaprenyl-4-hydroxybenzoate is a member of the class of compounds known as polyprenylphenols. Polyprenylphenols are compounds containing a polyisoprene chain attached to a phenol group. Nonaprenyl-4-hydroxybenzoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Nonaprenyl-4-hydroxybenzoate can be found in a number of food items such as sweet potato, banana, shallot, and swamp cabbage, which makes nonaprenyl-4-hydroxybenzoate a potential biomarker for the consumption of these food products.

CAS号

异构

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C=CC(=C1)C([O-])=O

InChI标识符

InChI=1S/C52H78O3/c1-40(2)19-11-20-41(3)21-12-22-42(4)23-13-24-43(5)25-14-26-44(6)27-15-28-45(7)29-16-30-46(8)31-17-32-47(9)33-18-34-48(10)35-36-49-39-50(52(54)55)37-38-51(49)53/h19,21,23,25,27,29,31,33,35,37-39,53H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,54,55)/p-1

键

YKKKMRBEPIZPBH-UHFFFAOYSA-M

平均分子量

749.587819919

id

31223

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