compound 0226991

Properties Image MNX_ID MNXM1190079 reference envipathM:...470008d34237 formula C12H18N2O8 global charge -2 mol weight 318.282 InChIKey YBYZIVNMDHZZGD-UHFFFAOYSA-L InChI InChI=1S/C12H20N2O8/c1-6(15)13-3-2-11(21)5-14-12(22,9(18)10(19)20)7(11)4-8(16)17/h7,9,14,18,21-22H,2-5H2,1H3,(H,13,15)(H,16,17)(H,19,20)/p-2 SMILES CC(=O)NCCC1(O)CNC(O)(C(O)C(=O)[O-])C1CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20N2O8/c1-6(15)13-3-2-11(21)5-14-12(22,9(18)10(19)20)7(11)4-8(16)17/h7,9,14,18,21-22H,2-5H2,1H3,(H,13,15)(H,16,17)(H,19,20)/t7?,9?,11?,12? SMILES (mnx) [CH3:1][C:6](=[N:13][CH2:3][CH2:2][C:11]1([OH:21])[CH2:5][NH:14][C:12]([CH:9]([C:10](=[O:19])[OH:20])[OH:18])([OH:22])[CH:7]1[CH2:4][C:8](=[O:16])[OH:17])[OH:15]

Parent-child relations graph

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