compound 0282853

Properties Image MNX_ID MNXM1234210 reference envipathM:...0348cb48a779 formula C7H5NO6S global charge -2 mol weight 231.185 InChIKey KEDOBLLZNPQFBF-HNQUOIGGSA-L InChI InChI=1S/C7H7NO6S/c9-4(10)1-3-7(14,8-2-15-3)5(11)6(12)13/h1-2,5,11,14H,(H,9,10)(H,12,13)/p-2/b3-1+ SMILES O=C([O-])/C=C1/SC=NC1(O)C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H7NO6S/c9-4(10)1-3-7(14,8-2-15-3)5(11)6(12)13/h1-2,5,11,14H,(H,9,10)(H,12,13)/b3-1+/t5?,7? SMILES (mnx) [CH:1](=[C:3]1\[C:7]([CH:5]([C:6](=[O:12])[OH:13])[OH:11])([OH:14])[N:8]=[CH:2][S:15]1)\[C:4](=[O:9])[OH:10]

Parent-child relations graph

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