MSI_000015627

Unreliable

排名分数: 3.85
参考来源: Vitis vinifera (PO:0009085: exocarp)

M/z: 543.09
Mass Window: 543.09 ~ 543.09 (0.0 ppm)

参考注释

[(2s,3r,4s,5s,6s)-2-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid_[M+H]+ (BioDeep_00002334145)
[(2s,3r,4s,5s,6s)-2-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

Formula: C22H22O14S (542.0730232)
SMILES: COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4OS(=O)(=O)O)c3o2)cc1