MSI_000011208
Unreliable
排名分数: 1.78
参考来源: Mus musculus (UBERON:0012378: muscle layer of urinary bladder)
M/z: 989.1381
Mass Window: 989.1381 ~ 989.1381 (none)
参考注释
[(1r,3s,4r,5s,8s)-8-{[(2s,3r,4r,5s,6r)-4-{[(1r,3r,4r,5s,8s)-8-{[(2s,3r,4r,5r,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl]oxy}-4-(sulfooxy)-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl]oxy}-3-hydroxy-2,6-dioxabicyclo[3.2.1]octan-4-yl]oxidanesulfonic acid_[M+K]+ (BioDeep_00002321011)[(1r,3s,4r,5s,8s)-8-{[(2s,3r,4r,5s,6r)-4-{[(1r,3r,4r,5s,8s)-8-{[(2s,3r,4r,5r,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl]oxy}-4-(sulfooxy)-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl]oxy}-3-hydroxy-2,6-dioxabicyclo[3.2.1]octan-4-yl]oxidanesulfonic acid
Formula: C24H38O31S4 (950.0279878)
SMILES:
O=S(=O)(O)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H]3OC[C@H]2O[C@H](O)[C@@H]3OS(=O)(=O)O)[C@H](O)[C@H]1O[C@H]1O[C@@H]2CO[C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H](OS(=O)(=O)O)[C@H](O)[C@H]2O)[C@H]1OS(=O)(=O)O
