compound 0103710

Properties Image MNX_ID MNXM1179310 reference envipathM:...78d8a218c6af formula C12H21N2O8 global charge -1 mol weight 321.306 InChIKey JPKYEOVIECMPAW-UHFFFAOYSA-M InChI InChI=1S/C12H22N2O8/c1-4-14(6(2)15)5-7(16)13-11(21)12(3,22)9(18)8(17)10(19)20/h6,9,11,15,18,21-22H,4-5H2,1-3H3,(H,13,16)(H,19,20)/p-1 SMILES CCN(C/C(O)=N/C(O)C(C)(O)C(O)C(=O)C(=O)[O-])C(C)O MNX internals InChI (mnx) InChI=1/C12H22N2O8/c1-4-14(6(2)15)5-7(16)13-11(21)12(3,22)9(18)8(17)10(19)20/h6,9,11,15,18,21-22H,4-5H2,1-3H3,(H,13,16)(H,19,20)/t6?,9?,11?,12? SMILES (mnx) [CH3:1][CH2:4][N:14]([CH2:5][C:7](=[N:13][CH:11]([C:12]([CH3:3])([CH:9]([C:8]([C:10]([OH:19])=[O:20])=[O:17])[OH:18])[OH:22])[OH:21])[OH:16])[CH:6]([CH3:2])[OH:15]

Parent-child relations graph

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