compound 0228293

Properties Image MNX_ID MNXM1172661 reference envipathM:...4d9936b93c8d formula C12H18N2O8 global charge -2 mol weight 318.282 InChIKey XZIFYHZJRCWVAQ-UHFFFAOYSA-L InChI InChI=1S/C12H20N2O8/c1-6(15)13-3-2-7-10(20)14-12(22,5-9(18)19)11(7,21)4-8(16)17/h7,10,14,20-22H,2-5H2,1H3,(H,13,15)(H,16,17)(H,18,19)/p-2 SMILES CC(=O)NCCC1C(O)NC(O)(CC(=O)[O-])C1(O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20N2O8/c1-6(15)13-3-2-7-10(20)14-12(22,5-9(18)19)11(7,21)4-8(16)17/h7,10,14,20-22H,2-5H2,1H3,(H,13,15)(H,16,17)(H,18,19)/t7?,10?,11?,12? SMILES (mnx) [CH3:1][C:6](=[N:13][CH2:3][CH2:2][CH:7]1[CH:10]([OH:20])[NH:14][C:12]([CH2:5][C:9](=[O:18])[OH:19])([OH:22])[C:11]1([CH2:4][C:8](=[O:16])[OH:17])[OH:21])[OH:15]

Parent-child relations graph

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