MSI_000016241

Reliable

排名分数: 2.12
参考来源: Vitis vinifera (PO:0009085: exocarp)

M/z: 573.0636
Mass Window: 573.0631 ~ 573.0638 (2.9 ppm)

参考注释

(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-7-(sulfooxy)chromen-3-yl]oxy}oxane-2-carboxylic acid_[M+H]+ (BioDeep_00002213912)
(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-7-(sulfooxy)chromen-3-yl]oxy}oxane-2-carboxylic acid

Formula: C22H20O16S (572.0472040000001)
SMILES: COc1cc(-c2oc3cc(OS(=O)(=O)O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)ccc1O