public_id

FDB001620

IUPAC 名称

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-9λ⁵-purin-9-ylium

描述

7-methylxanthosine is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. 7-methylxanthosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 7-methylxanthosine can be found in arabica coffee, which makes 7-methylxanthosine a potential biomarker for the consumption of this food product.

CAS号

异构

CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(=O)N2

InChI标识符

InChI=1S/C11H14N4O6/c1-14-3-15(8-5(14)9(19)13-11(20)12-8)10-7(18)6(17)4(2-16)21-10/h3-4,6-7,10,16-18H,2H2,1H3,(H-,12,13,19,20)/p+1/t4-,6-,7-,10-/m1/s1

键

SYPRQIWERSQQNL-KQYNXXCUSA-O

平均分子量

299.099159232

id

1620

含有化合物的食物

食物id	食物名称
59	Arabica coffee