compound 0107019

Properties Image MNX_ID MNXM1173375 reference envipathM:...f9c44c4f59f5 formula C13H19N2O7 global charge -1 mol weight 315.302 InChIKey JXJORRNFOCWGOO-LIUQFUSQSA-M InChI InChI=1S/C13H20N2O7/c1-3-9(8(6-16)12(20)13(21)22)14-5-10(18)15(4-2)11(19)7-17/h3,5,7-8,10-11,16,18-19H,4,6H2,1-2H3,(H,21,22)/p-1/b9-3-,14-5+ SMILES C/C=C(\N=C\C(O)N(CC)C(O)C=O)C(CO)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H20N2O7/c1-3-9(8(6-16)12(20)13(21)22)14-5-10(18)15(4-2)11(19)7-17/h3,5,7-8,10-11,16,18-19H,4,6H2,1-2H3,(H,21,22)/b9-3-,14-5+/t8?,10?,11? SMILES (mnx) [CH3:1]/[CH:3]=[C:9]([CH:8]([CH2:6][OH:16])[C:12]([C:13]([OH:21])=[O:22])=[O:20])\[N:14]=[CH:5]\[CH:10]([N:15]([CH2:4][CH3:2])[CH:11]([CH:7]=[O:17])[OH:19])[OH:18]

Parent-child relations graph

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