compound 0109224

Properties Image MNX_ID MNXM1190252 reference envipathM:...61542638755b formula C12H18N2O9 global charge -2 mol weight 334.281 InChIKey TWBHBJNLGKWTTM-UHFFFAOYSA-L InChI InChI=1S/C12H20N2O9/c1-2-13-4-8(17)14-12(23,7(5-15)3-9(18)19)11(22,6-16)10(20)21/h5,7,13,16,22-23H,2-4,6H2,1H3,(H,14,17)(H,18,19)(H,20,21)/p-2 SMILES CCNC/C(O)=N/C(O)(C(C=O)CC(=O)[O-])C(O)(CO)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20N2O9/c1-2-13-4-8(17)14-12(23,7(5-15)3-9(18)19)11(22,6-16)10(20)21/h5,7,13,16,22-23H,2-4,6H2,1H3,(H,14,17)(H,18,19)(H,20,21)/t7?,11?,12? SMILES (mnx) [CH3:1][CH2:2][NH:13][CH2:4][C:8](=[N:14][C:12]([CH:7]([CH2:3][C:9](=[O:18])[OH:19])[CH:5]=[O:15])([C:11]([CH2:6][OH:16])([C:10](=[O:20])[OH:21])[OH:22])[OH:23])[OH:17]

Parent-child relations graph

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