compound 0104782

Properties Image MNX_ID MNXM1138874 reference envipathM:...b0a9bf79a8e8 formula C12H19N2O8 global charge -1 mol weight 319.29 InChIKey YKFNBZAGMCTDSM-UHFFFAOYSA-M InChI InChI=1S/C12H20N2O8/c1-3-14(7(2)16)4-8(17)13-5-12(22,6-15)10(19)9(18)11(20)21/h7,15-16,22H,3-6H2,1-2H3,(H,13,17)(H,20,21)/p-1 SMILES CCN(C/C(O)=N/CC(O)(CO)C(=O)C(=O)C(=O)[O-])C(C)O MNX internals InChI (mnx) InChI=1/C12H20N2O8/c1-3-14(7(2)16)4-8(17)13-5-12(22,6-15)10(19)9(18)11(20)21/h7,15-16,22H,3-6H2,1-2H3,(H,13,17)(H,20,21)/t7?,12? SMILES (mnx) [CH3:1][CH2:3][N:14]([CH2:4][C:8](=[N:13][CH2:5][C:12]([CH2:6][OH:15])([C:10]([C:9]([C:11](=[O:20])[OH:21])=[O:18])=[O:19])[OH:22])[OH:17])[CH:7]([CH3:2])[OH:16]

Parent-child relations graph

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