compound 0103530

Properties Image MNX_ID MNXM1193095 reference envipathM:...40ed9dca7b74 formula C12H21N2O6 global charge -1 mol weight 289.308 InChIKey JFSJGOKHEGLLHF-UHFFFAOYSA-M InChI InChI=1S/C12H22N2O6/c1-4-14(5-6-15)7-10(17)13-12(20,9(3)16)8(2)11(18)19/h6,8-9,16,20H,4-5,7H2,1-3H3,(H,13,17)(H,18,19)/p-1 SMILES CCN(CC=O)C/C(O)=N/C(O)(C(C)O)C(C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H22N2O6/c1-4-14(5-6-15)7-10(17)13-12(20,9(3)16)8(2)11(18)19/h6,8-9,16,20H,4-5,7H2,1-3H3,(H,13,17)(H,18,19)/t8?,9?,12? SMILES (mnx) [CH3:1][CH2:4][N:14]([CH2:5][CH:6]=[O:15])[CH2:7][C:10](=[N:13][C:12]([CH:8]([CH3:2])[C:11](=[O:18])[OH:19])([CH:9]([CH3:3])[OH:16])[OH:20])[OH:17]

Parent-child relations graph

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