compound 0228051

Properties Image MNX_ID MNXM1197785 reference envipathM:...dcc199cd832a formula C10H12N2O7 global charge -2 mol weight 272.213 InChIKey JUSPUASWEGKOHP-UHFFFAOYSA-L InChI InChI=1S/C10H14N2O7/c11-1-4(13)3-2-12-6(8(15)10(18)19)5(3)7(14)9(16)17/h2,4-7,12-14H,1,11H2,(H,16,17)(H,18,19)/p-2 SMILES NCC(O)C1=CNC(C(=O)C(=O)[O-])C1C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H14N2O7/c11-1-4(13)3-2-12-6(8(15)10(18)19)5(3)7(14)9(16)17/h2,4-7,12-14H,1,11H2,(H,16,17)(H,18,19)/t4?,5?,6?,7? SMILES (mnx) [CH2:1]([CH:4]([C:3]1=[CH:2][NH:12][CH:6]([C:8]([C:10]([OH:18])=[O:19])=[O:15])[CH:5]1[CH:7]([C:9](=[O:16])[OH:17])[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