MSI_000016424

Unreliable

排名分数: 1.03
参考来源: Vitis vinifera (PO:0009086: endocarp)

M/z: 556.0729
Mass Window: 556.0729 ~ 556.0729 (0.3 ppm)

参考注释

6-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-3,4-dihydroxy-5-(sulfooxy)oxane-2-carboxylic acid_[M]+ (BioDeep_00002235437)
6-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-3,4-dihydroxy-5-(sulfooxy)oxane-2-carboxylic acid

Formula: C22H20O15S (556.0522890000001)
SMILES: COc1ccc(-c2cc(=O)c3c(O)cc(O)c(OC4OC(C(=O)O)C(O)C(O)C4OS(=O)(=O)O)c3o2)cc1