compound 0102314

Properties Image MNX_ID MNXM1192786 reference envipathM:...26996532ebb9 formula C12H17N2O7 global charge -1 mol weight 301.275 InChIKey ZZCDHHGOCNJXJJ-FNORWQNLSA-M InChI InChI=1S/C12H18N2O7/c1-7(10(18)11(19)12(20)21)5-13-9(17)6-14(3-4-15)8(2)16/h4-5,8,10,16,18H,3,6H2,1-2H3,(H,13,17)(H,20,21)/p-1/b7-5+ SMILES C/C(=C\N=C(/O)CN(CC=O)C(C)O)C(O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H18N2O7/c1-7(10(18)11(19)12(20)21)5-13-9(17)6-14(3-4-15)8(2)16/h4-5,8,10,16,18H,3,6H2,1-2H3,(H,13,17)(H,20,21)/b7-5+/t8?,10? SMILES (mnx) [CH3:1]/[C:7](=[CH:5]\[N:13]=[C:9](\[CH2:6][N:14]([CH2:3][CH:4]=[O:15])[CH:8]([CH3:2])[OH:16])[OH:17])[CH:10]([C:11]([C:12]([OH:20])=[O:21])=[O:19])[OH:18]

Parent-child relations graph

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