compound 0100849

Properties Image MNX_ID MNXM1179961 reference envipathM:...1bef0842bfad formula C14H22N2O6 global charge 0 mol weight 314.338 InChIKey GDCCHNKELCMUJC-UHFFFAOYSA-N InChI InChI=1S/C14H22N2O6/c1-7-4-11(20)14(22)10(6-17)13(7)15-12(21)5-16(8(2)18)9(3)19/h4,8-9,17-20,22H,5-6H2,1-3H3,(H,15,21) SMILES CC1=C(/N=C(\O)CN(C(C)O)C(C)O)C(CO)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C14H22N2O6/c1-7-4-11(20)14(22)10(6-17)13(7)15-12(21)5-16(8(2)18)9(3)19/h4,8-9,17-20,22H,5-6H2,1-3H3,(H,15,21)/t8?,9? SMILES (mnx) [CH3:1][C:7]1=[CH:4][C:11]([OH:20])=[C:14]([OH:22])[C:10]([CH2:6][OH:17])=[C:13]1[N:15]=[C:12]([CH2:5][N:16]([CH:8]([CH3:2])[OH:18])[CH:9]([CH3:3])[OH:19])[OH:21]

Parent-child relations graph

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