compound 0107160

Properties Image MNX_ID MNXM1197032 reference envipathM:...1e75b0122a53 formula C13H17N2O7 global charge -1 mol weight 313.286 InChIKey URBRUVUHIAWXLE-CTILATHJSA-M InChI InChI=1S/C13H18N2O7/c1-3-9(13(22,8-17)11(19)12(20)21)14-7-10(18)15(4-2)5-6-16/h3,6-8,10,18,22H,4-5H2,1-2H3,(H,20,21)/p-1/b9-3-,14-7+ SMILES C/C=C(\N=C\C(O)N(CC)CC=O)C(O)(C=O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H18N2O7/c1-3-9(13(22,8-17)11(19)12(20)21)14-7-10(18)15(4-2)5-6-16/h3,6-8,10,18,22H,4-5H2,1-2H3,(H,20,21)/b9-3-,14-7+/t10?,13? SMILES (mnx) [CH3:1]/[CH:3]=[C:9]([C:13]([CH:8]=[O:17])([C:11]([C:12]([OH:20])=[O:21])=[O:19])[OH:22])\[N:14]=[CH:7]\[CH:10]([N:15]([CH2:4][CH3:2])[CH2:5][CH:6]=[O:16])[OH:18]

Parent-child relations graph

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