MSI_000016309

Unreliable

排名分数: 1.98
参考来源: Vitis vinifera (PO:0009086: endocarp)

M/z: 555.0702
Mass Window: 555.0702 ~ 555.0702 (0.1 ppm)

参考注释

[(2s,3s,5s)-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid_[M+H-H2O]+ (BioDeep_00002297145)
[(2s,3s,5s)-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

Formula: C23H24O15S (572.0835874)
SMILES: COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4OS(=O)(=O)O)cc3o2)cc(OC)c1O