public_id

FDB007536

IUPAC 名称

3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one

描述

3-oxo-alpha-lonone is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 3-oxo-alpha-lonone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-oxo-alpha-lonone can be found in common grape, which makes 3-oxo-alpha-lonone a potential biomarker for the consumption of this food product.

CAS号

异构

CC(=O)\C=C\C1C(C)=CC(=O)CC1(C)C

InChI标识符

InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,12H,8H2,1-4H3/b6-5+

键

MLYOGKJJENFVJN-AATRIKPKSA-N

平均分子量

206.13067982

id

7537

含有化合物的食物

食物id	食物名称
204	Common grape