public_id

FDB005927

IUPAC 名称

(3Z)-3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one

描述

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

CAS号

4431-01-0

异构

[H]\C(CCC)=C1\OC(=O)C2=C1CCC=C2

InChI标识符

InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-

键

IQVQXVFMNOFTMU-FLIBITNWSA-N

平均分子量

190.099379691

id

5928

含有化合物的食物

食物id	食物名称
100	Lovage