Urolithin-3-sulfate

Properties Image MNX_ID MNXM1130043 reference hmdb:HMDB0240569 formula C13H8O6S global charge 0 mol weight 292.268 InChIKey LRRVKQQFGIEMSA-UHFFFAOYSA-N InChI InChI=1S/C13H8O6S/c14-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)18-13)19-20(15,16)17/h1-7H,(H,15,16,17) SMILES O=C1OC2=CC(OS(=O)(=O)O)=CC=C2C2=CC=CC=C12 MNX internals InChI (mnx) InChI=1/C13H8O6S/c14-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)18-13)19-20(15,16)17/h1-7H,(H,15,16,17) SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:11]2[C:9](=[CH:3]1)[C:10]1=[CH:6][CH:5]=[C:8]([O:19][S:20]([OH:15])(=[O:16])=[O:17])[CH:7]=[C:12]1[O:18][C:13]2=[O:14]

Parent-child relations graph

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