MSI_000016021
Reliable
排名分数: 2.83
参考来源: Vitis vinifera (PO:0009085: exocarp)
M/z: 465.0219
Mass Window: 465.0219 ~ 465.022 (0.2 ppm)
参考注释
{6,18,19-trihydroxy-10,14-dioxo-9,15-dioxa-12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1(13),2(11),3(8),4,6,16(21),17,19-octaen-5-yl}oxidanesulfonic acid_[M+NH4]+ (BioDeep_00002174342){6,18,19-trihydroxy-10,14-dioxo-9,15-dioxa-12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1(13),2(11),3(8),4,6,16(21),17,19-octaen-5-yl}oxidanesulfonic acid
Formula: C18H9NO11S (446.9896324)
SMILES:
O=c1oc2cc(O)c(O)cc2c2c1[nH]c1c(=O)oc3cc(O)c(OS(=O)(=O)O)cc3c12
