compound 0060006

Properties Image MNX_ID MNXM1170947 reference envipathM:...b13422d40315 formula C7H5O6S global charge -3 mol weight 217.178 InChIKey HGBLIWAXGIFWSD-VOERYJCWSA-K InChI InChI=1S/C7H8O6S/c1-4(6(8)9)2-3-5(7(10)11)14(12)13/h2-3H,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3/b4-2-,5-3+ SMILES C/C(=C/C=C(\C(=O)[O-])S(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H8O6S/c1-4(6(8)9)2-3-5(7(10)11)14(12)13/h2-3H,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-2-,5-3+ SMILES (mnx) [CH3:1]/[C:4](=[CH:2]/[CH:3]=[C:5](\[C:7](=[O:10])[OH:11])[S:14]([OH:12])=[O:13])[C:6](=[O:8])[OH:9]

Parent-child relations graph

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