compound 0104637

Properties Image MNX_ID MNXM1188603 reference envipathM:...c09f9c59961e formula C9H8NO8 global charge -3 mol weight 258.162 InChIKey NDEWCLQBYNWSSX-UHFFFAOYSA-K InChI InChI=1S/C9H11NO8/c1-2-3(10-6(12)9(17)18)4(7(13)14)5(11)8(15)16/h3-4H,2H2,1H3,(H,10,12)(H,13,14)(H,15,16)(H,17,18)/p-3 SMILES CCC(/N=C(\O)C(=O)[O-])C(C(=O)[O-])C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C9H11NO8/c1-2-3(10-6(12)9(17)18)4(7(13)14)5(11)8(15)16/h3-4H,2H2,1H3,(H,10,12)(H,13,14)(H,15,16)(H,17,18)/t3?,4? SMILES (mnx) [CH3:1][CH2:2][CH:3]([CH:4]([C:5]([C:8]([OH:15])=[O:16])=[O:11])[C:7](=[O:13])[OH:14])[NH:10][C:6]([C:9]([OH:17])=[O:18])=[O:12]

Parent-child relations graph

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