MSI_000038313
Unreliable
排名分数: 1.42
参考来源: Posidonia oceanica (PO:0005020: vascular bundle)
M/z: 555.0725
Mass Window: 555.0725 ~ 555.0725 (none)
参考注释
2-[(2s,6r,7r,10r)-7,15-dihydroxy-2-methyl-5,9,11-trioxo-18-(sulfooxy)-8-azapentacyclo[10.8.0.0²,¹⁰.0⁶,¹⁰.0¹⁴,¹⁹]icosa-1(20),12,14,16,18-pentaen-8-yl]ethanesulfonic acid_[M]+ (BioDeep_00002231455)2-[(2s,6r,7r,10r)-7,15-dihydroxy-2-methyl-5,9,11-trioxo-18-(sulfooxy)-8-azapentacyclo[10.8.0.0²,¹⁰.0⁶,¹⁰.0¹⁴,¹⁹]icosa-1(20),12,14,16,18-pentaen-8-yl]ethanesulfonic acid
Formula: C22H21NO12S2 (555.0505146)
SMILES:
C[C@@]12CCC(=O)[C@H]3[C@@H](O)N(CCS(=O)(=O)O)C(=O)[C@]31C(=O)c1cc3c(O)ccc(OS(=O)(=O)O)c3cc12
