compound 0053930

Properties Image MNX_ID MNXM1189427 reference envipathM:...ba4415481e32 formula C10H10N2O8S global charge 0 mol weight 318.263 InChIKey ZRUITQFMVFCCKL-UHFFFAOYSA-N InChI InChI=1S/C10H10N2O8S/c13-3-4-1-7(11-20-4)12-21(18,19)6-2-5(14)8(15)10(17)9(6)16/h1-2,13-17H,3H2,(H,11,12) SMILES O=S(=O)(NC1=NOC(CO)=C1)C1=CC(O)=C(O)C(O)=C1O MNX internals InChI (mnx) InChI=1/C10H10N2O8S/c13-3-4-1-7(11-20-4)12-21(18,19)6-2-5(14)8(15)10(17)9(6)16/h1-2,13-17H,3H2,(H,11,12) SMILES (mnx) [CH:1]1=[C:4]([CH2:3][OH:13])[O:20][N:11]=[C:7]1[NH:12][S:21]([C:6]1=[C:9]([OH:16])[C:10]([OH:17])=[C:8]([OH:15])[C:5]([OH:14])=[CH:2]1)(=[O:18])=[O:19]

Parent-child relations graph

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