public_id

FDB021721

IUPAC 名称

4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

描述

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

CAS号

34318-21-3

异构

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

InChI标识符

InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+

键

MDCGEAGEQVMWPE-AATRIKPKSA-N

平均分子量

208.146329884

id

21865

含有化合物的食物

食物id	食物名称
933	Evergreen blackberry
204	Common grape
938	Blackberry