compound 0229459

Properties Image MNX_ID MNXM1183020 reference envipathM:...09e8ba963d65 formula C12H12N2O9 global charge -2 mol weight 328.233 InChIKey ZKGOCSQADFGRNC-UHFFFAOYSA-L InChI InChI=1S/C12H14N2O9/c1-5(15)13-3-2-6-4-14-12(23,8(17)10(20)21)11(6,22)7(16)9(18)19/h4,14,22-23H,2-3H2,1H3,(H,13,15)(H,18,19)(H,20,21)/p-2 SMILES CC(=O)NCCC1=CNC(O)(C(=O)C(=O)[O-])C1(O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H14N2O9/c1-5(15)13-3-2-6-4-14-12(23,8(17)10(20)21)11(6,22)7(16)9(18)19/h4,14,22-23H,2-3H2,1H3,(H,13,15)(H,18,19)(H,20,21)/t11?,12? SMILES (mnx) [CH3:1][C:5](=[N:13][CH2:3][CH2:2][C:6]1=[CH:4][NH:14][C:12]([C:8]([C:10]([OH:20])=[O:21])=[O:17])([OH:23])[C:11]1([C:7]([C:9]([OH:18])=[O:19])=[O:16])[OH:22])[OH:15]

Parent-child relations graph

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