MSI_000017925

Reliable

排名分数: 1
参考来源: Vitis vinifera (PO:0009087: mesocarp)

M/z: 559.0848
Mass Window: 559.0848 ~ 559.0848 (0.0 ppm)

参考注释

[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-7-yl]oxidanesulfonic acid_[M+H]+ (BioDeep_00002214582)
[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-7-yl]oxidanesulfonic acid

Formula: C22H22O15S (558.0679382000001)
SMILES: COc1ccc(-c2oc3cc(OS(=O)(=O)O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc1O