MSI_000017315

Reliable

排名分数: 2.94
参考来源: Vitis vinifera (PO:0009087: mesocarp)

M/z: 621.0594
Mass Window: 621.0593 ~ 621.0594 (0.5 ppm)

参考注释

{8-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl}oxidanesulfonic acid_[M+H]+ (BioDeep_00002090364)
{8-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl}oxidanesulfonic acid

Formula: C30H20O13S (620.062459)
SMILES: O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c(OS(=O)(=O)O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12