compound 0228484

Properties Image MNX_ID MNXM1194520 reference envipathM:...97cdc042dcfb formula C12H16N2O8 global charge -2 mol weight 316.266 InChIKey RCXZWSZFXFMXEC-UHFFFAOYSA-L InChI InChI=1S/C12H18N2O8/c1-6(15)14-5-9(17)7(8(16)2-11(19)20)3-13-4-10(18)12(21)22/h7,9,13,17H,2-5H2,1H3,(H,14,15)(H,19,20)(H,21,22)/p-2 SMILES CC(=O)NCC(O)C(CNCC(=O)C(=O)[O-])C(=O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H18N2O8/c1-6(15)14-5-9(17)7(8(16)2-11(19)20)3-13-4-10(18)12(21)22/h7,9,13,17H,2-5H2,1H3,(H,14,15)(H,19,20)(H,21,22)/t7?,9? SMILES (mnx) [CH3:1][C:6](=[N:14][CH2:5][CH:9]([CH:7]([CH2:3][NH:13][CH2:4][C:10]([C:12]([OH:21])=[O:22])=[O:18])[C:8]([CH2:2][C:11](=[O:19])[OH:20])=[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