public_id

FDB003860

IUPAC 名称

(3S,3aR)-3-butyl-1,3,3a,4,5,6-hexahydro-2-benzofuran-1-one

描述

Neocnidolide, also known as neocnidilide, cis-(-)-isomer or sedanolide, is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Neocnidolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Neocnidolide can be found in dill, which makes neocnidolide a potential biomarker for the consumption of this food product.

CAS号

4567-33-3

异构

[H][C@@]1(CCCC)OC(=O)C2=CCCC[C@@]12[H]

InChI标识符

InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1

键

UPJFTVFLSIQQAV-KOLCDFICSA-N

平均分子量

194.13067982

id

3861

含有化合物的食物

食物id	食物名称
13	Dill