compound 0105432

Properties Image MNX_ID MNXM1190387 reference envipathM:...7587a308f7bf formula C12H21N2O7 global charge -1 mol weight 305.307 InChIKey ANWUGBCMTBFXDN-UHFFFAOYSA-M InChI InChI=1S/C12H22N2O7/c1-4-14(5-6-15)7-9(17)13-12(21,8(2)16)11(3,20)10(18)19/h6,8,16,20-21H,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)(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H22N2O7/c1-4-14(5-6-15)7-9(17)13-12(21,8(2)16)11(3,20)10(18)19/h6,8,16,20-21H,4-5,7H2,1-3H3,(H,13,17)(H,18,19)/t8?,11?,12? SMILES (mnx) [CH3:1][CH2:4][N:14]([CH2:5][CH:6]=[O:15])[CH2:7][C:9](=[N:13][C:12]([CH:8]([CH3:2])[OH:16])([C:11]([CH3:3])([C:10](=[O:18])[OH:19])[OH:20])[OH:21])[OH:17]

Parent-child relations graph

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