3-Methylellagic acid
IUPAC 名称
6,7,13-trihydroxy-14-methoxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
描述
3-methylellagic acid, also known as 3-O-methylellagate, is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. 3-methylellagic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-methylellagic acid can be found in brazil nut, guava, and java plum, which makes 3-methylellagic acid a potential biomarker for the consumption of these food products.
异构
COC1=C(O)C=C2C(=O)OC3=C4C(=CC(O)=C3O)C(=O)OC1=C24
InChI标识符
InChI=1S/C15H8O8/c1-21-11-7(17)3-5-9-8-4(15(20)23-13(9)11)2-6(16)10(18)12(8)22-14(5)19/h2-3,16-18H,1H3
键
FAARLWTXUUQFSN-UHFFFAOYSA-N