MSI_000016254

Unreliable

排名分数: 2.1
参考来源: Vitis vinifera (PO:0009085: exocarp)

M/z: 517.0037
Mass Window: 517.0037 ~ 517.0037 (0.3 ppm)

参考注释

{5-[(2r,3r)-5,7-dihydroxy-4-oxo-3-(3,4,5-trihydroxybenzoyloxy)-2,3-dihydro-1-benzopyran-2-yl]-2,3-dihydroxyphenyl}oxidanesulfonic acid_[M+H-2H2O]+ (BioDeep_00002213056)
{5-[(2r,3r)-5,7-dihydroxy-4-oxo-3-(3,4,5-trihydroxybenzoyloxy)-2,3-dihydro-1-benzopyran-2-yl]-2,3-dihydroxyphenyl}oxidanesulfonic acid

Formula: C22H16O15S (552.0209906)
SMILES: O=C(O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(OS(=O)(=O)O)c1)c1cc(O)c(O)c(O)c1