compound 0226723

Properties Image MNX_ID MNXM1182324 reference envipathM:...f868248d280f formula C10H12N2O6 global charge -2 mol weight 256.214 InChIKey ADUREUSQVARVHE-LREOWRDNSA-L InChI InChI=1S/C10H14N2O6/c11-3-6(13)5-4-12-7(1-8(14)15)10(5,18)2-9(16)17/h1,4,6,12-13,18H,2-3,11H2,(H,14,15)(H,16,17)/p-2/b7-1+ SMILES NCC(O)C1=CN/C(=C/C(=O)[O-])C1(O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H14N2O6/c11-3-6(13)5-4-12-7(1-8(14)15)10(5,18)2-9(16)17/h1,4,6,12-13,18H,2-3,11H2,(H,14,15)(H,16,17)/b7-1+/t6?,10? SMILES (mnx) [CH:1](=[C:7]1\[C:10]([CH2:2][C:9](=[O:16])[OH:17])([OH:18])[C:5]([CH:6]([CH2:3][NH2:11])[OH:13])=[CH:4][NH:12]1)\[C:8](=[O:14])[OH:15]

Parent-child relations graph

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