MSI_000004115
Unreliable
排名分数: 1.02
参考来源: Homo sapiens (UBERON:0002107: liver)
M/z: 333.018
Mass Window: 333.018 ~ 333.018 (none)
参考注释
Glucocapparin_[M+H]+ (BioDeep_00000229341)(e)-(1-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene)amino sulphuric acid
Formula: C8H14NO9S2 (332.0109974)
SMILES:
C\C(S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N/OS([O-])(=O)=O