compound 0109413

Properties Image MNX_ID MNXM1171453 reference envipathM:...864e58b1803f formula C12H23N2O7 global charge -1 mol weight 307.323 InChIKey KJOMXEOCJQDOFV-WLRTZDKTSA-M InChI InChI=1S/C12H24N2O7/c1-4-14(8(3)16)10(18)5-13-12(21,9(17)6-15)7(2)11(19)20/h5,7-10,15-18,21H,4,6H2,1-3H3,(H,19,20)/p-1/b13-5+ SMILES CCN(C(C)O)C(O)/C=N/C(O)(C(O)CO)C(C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H24N2O7/c1-4-14(8(3)16)10(18)5-13-12(21,9(17)6-15)7(2)11(19)20/h5,7-10,15-18,21H,4,6H2,1-3H3,(H,19,20)/b13-5+/t7?,8?,9?,10?,12? SMILES (mnx) [CH3:1][CH2:4][N:14]([CH:8]([CH3:3])[OH:16])[CH:10](/[CH:5]=[N:13]/[C:12]([CH:7]([CH3:2])[C:11](=[O:19])[OH:20])([CH:9]([CH2:6][OH:15])[OH:17])[OH:21])[OH:18]

Parent-child relations graph

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