public_id

FDB004555

IUPAC 名称

(3E,5Z)-octa-3,5-dien-2-one

描述

Octa-trans-3-cis-5-dien-2-one, also known as (e,z)-3,5-octadien-2-one, is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Octa-trans-3-cis-5-dien-2-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Octa-trans-3-cis-5-dien-2-one can be found in tea, which makes octa-trans-3-cis-5-dien-2-one a potential biomarker for the consumption of this food product.

CAS号

异构

[H]\C(CC)=C(/[H])\C(\[H])=C(/[H])C(C)=O

InChI标识符

InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4-,7-6+

键

LWRKMRFJEUFXIB-SCFJQAPRSA-N

平均分子量

124.088815006

id

4556

含有化合物的食物

食物id	食物名称
38	Tea
957	Red tea
1021	Herbal tea
940	Green tea
939	Black tea