Tizoxanide glucuronide

Properties Image MNX_ID MNXM161671 reference chebi:189884 formula C16H15N3O10S global charge 0 mol weight 441.374 InChIKey UJTOVSZPBVTOMC-QKZHPOIUSA-N InChI InChI=1S/C16H15N3O10S/c20-9-10(21)12(14(24)25)29-15(11(9)22)28-7-4-2-1-3-6(7)13(23)18-16-17-5-8(30-16)19(26)27/h1-5,9-12,15,20-22H,(H,24,25)(H,17,18,23)/t9-,10-,11+,12-,15+/m0/s1 SMILES O=C(NC1=NC=C([N+](=O)[O-])S1)C1=CC=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C16H15N3O10S/c20-9-10(21)12(14(24)25)29-15(11(9)22)28-7-4-2-1-3-6(7)13(23)18-16-17-5-8(30-16)19(26)27/h1-5,9-12,15,20-22H,(H,24,25)(H,17,18,23)/t9-,10-,11+,12-,15+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:7]([O:28][C@H:15]2[C@H:11]([OH:22])[C@@H:9]([OH:20])[C@H:10]([OH:21])[C@@H:12]([C:14](=[O:24])[OH:25])[O:29]2)[C:6]([C:13](=[N:18][C:16]2=[N:17][CH:5]=[C:8]([N+:19]([O-:26])=[O:27])[S:30]2)[OH:23])=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0