compound 0105597

Properties Image MNX_ID MNXM1191737 reference envipathM:...aaec2db6ecf3 formula C12H17N2O8 global charge -1 mol weight 317.274 InChIKey ATRKDGGENKVZRT-XBXARRHUSA-M InChI InChI=1S/C12H18N2O8/c1-7(17)14(2-3-15)5-9(18)13-4-8(6-16)10(19)11(20)12(21)22/h3-4,7,10,16-17,19H,2,5-6H2,1H3,(H,13,18)(H,21,22)/p-1/b8-4+ SMILES CC(O)N(CC=O)C/C(O)=N/C=C(\CO)C(O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H18N2O8/c1-7(17)14(2-3-15)5-9(18)13-4-8(6-16)10(19)11(20)12(21)22/h3-4,7,10,16-17,19H,2,5-6H2,1H3,(H,13,18)(H,21,22)/b8-4+/t7?,10? SMILES (mnx) [CH3:1][CH:7]([N:14]([CH2:2][CH:3]=[O:15])[CH2:5]/[C:9](=[N:13]/[CH:4]=[C:8](\[CH2:6][OH:16])[CH:10]([C:11]([C:12]([OH:21])=[O:22])=[O:20])[OH:19])[OH:18])[OH:17]

Parent-child relations graph

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