compound 0226765

Properties Image MNX_ID MNXM1197845 reference envipathM:...9951248deca8 formula C10H12N2O7 global charge -2 mol weight 272.213 InChIKey ROXZYXWMZJDQGC-UHFFFAOYSA-L InChI InChI=1S/C10H14N2O7/c11-1-4(13)3-2-12-6(9(16)17)5(3)7(14)8(15)10(18)19/h2,4,7-8,12-15H,1,11H2,(H,16,17)(H,18,19)/p-2 SMILES NCC(O)C1=CNC(C(=O)[O-])=C1C(O)C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H14N2O7/c11-1-4(13)3-2-12-6(9(16)17)5(3)7(14)8(15)10(18)19/h2,4,7-8,12-15H,1,11H2,(H,16,17)(H,18,19)/t4?,7?,8? SMILES (mnx) [CH2:1]([CH:4]([C:3]1=[CH:2][NH:12][C:6]([C:9](=[O:16])[OH:17])=[C:5]1[CH:7]([CH:8]([C:10](=[O:18])[OH:19])[OH:15])[OH:14])[OH:13])[NH2:11]

Parent-child relations graph

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