compound 0106553

Properties Image MNX_ID MNXM1193489 reference envipathM:...8b79daf0b8ac formula C13H16N2O7 global charge -2 mol weight 312.278 InChIKey XSIAPIXQEWUEAU-SBXLYRAJSA-L InChI InChI=1S/C13H18N2O7/c1-3-8(10(12(19)20)11(18)13(21)22)14-7-9(17)15(4-2)5-6-16/h3,6-7,9-10,17H,4-5H2,1-2H3,(H,19,20)(H,21,22)/p-2/b8-3-,14-7+ SMILES C/C=C(\N=C\C(O)N(CC)CC=O)C(C(=O)[O-])C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H18N2O7/c1-3-8(10(12(19)20)11(18)13(21)22)14-7-9(17)15(4-2)5-6-16/h3,6-7,9-10,17H,4-5H2,1-2H3,(H,19,20)(H,21,22)/b8-3-,14-7+/t9?,10? SMILES (mnx) [CH3:1]/[CH:3]=[C:8]([CH:10]([C:11]([C:13]([OH:21])=[O:22])=[O:18])[C:12](=[O:19])[OH:20])\[N:14]=[CH:7]\[CH:9]([N:15]([CH2:4][CH3:2])[CH2:5][CH:6]=[O:16])[OH:17]

Parent-child relations graph

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