MSI_000017459

Reliable

排名分数: 2.32
参考来源: Vitis vinifera (PO:0009087: mesocarp)

M/z: 464.0646
Mass Window: 464.0646 ~ 464.0646 (0.1 ppm)

参考注释

[(e)-(1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}-2-(3,4,5-trimethoxyphenyl)ethylidene)amino]oxysulfonic acid_[M+H-2H2O]+ (BioDeep_00002137365)
[(e)-(1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}-2-(3,4,5-trimethoxyphenyl)ethylidene)amino]oxysulfonic acid

Formula: C17H25NO12S2 (499.081813)
SMILES: COc1cc(C/C(=N\OS(=O)(=O)O)S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC