compound 0228075

Properties Image MNX_ID MNXM1170605 reference envipathM:...b2611a7dc911 formula C10H14N2O7 global charge -2 mol weight 274.229 InChIKey QWTRUIQRMBMPJB-UHFFFAOYSA-L InChI InChI=1S/C10H16N2O7/c11-6(13)1-4-3-12-10(19,8(16)9(17)18)5(4)2-7(14)15/h3,5-6,8,12-13,16,19H,1-2,11H2,(H,14,15)(H,17,18)/p-2 SMILES NC(O)CC1=CNC(O)(C(O)C(=O)[O-])C1CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H16N2O7/c11-6(13)1-4-3-12-10(19,8(16)9(17)18)5(4)2-7(14)15/h3,5-6,8,12-13,16,19H,1-2,11H2,(H,14,15)(H,17,18)/t5?,6?,8?,10? SMILES (mnx) [CH2:1]([C:4]1=[CH:3][NH:12][C:10]([CH:8]([C:9](=[O:17])[OH:18])[OH:16])([OH:19])[CH:5]1[CH2:2][C:7](=[O:14])[OH:15])[CH:6]([NH2:11])[OH:13]

Parent-child relations graph

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