compound 0067280

Properties Image MNX_ID MNXM1188623 reference envipathM:...9333a9e87949 formula C13H20N2O5 global charge 0 mol weight 284.312 InChIKey GBQUILWDHPWAQI-UHFFFAOYSA-N InChI InChI=1S/C13H20N2O5/c16-8-10(18)7-14-1-3-15(4-2-14)11-5-9(17)6-12(19)13(11)20/h5-6,10,16-20H,1-4,7-8H2 SMILES OCC(O)CN1CCN(C2=CC(O)=CC(O)=C2O)CC1 MNX internals InChI (mnx) InChI=1/C13H20N2O5/c16-8-10(18)7-14-1-3-15(4-2-14)11-5-9(17)6-12(19)13(11)20/h5-6,10,16-20H,1-4,7-8H2/t10? SMILES (mnx) [CH2:1]1[CH2:3][N:15]([C:11]2=[C:13]([OH:20])[C:12]([OH:19])=[CH:6][C:9]([OH:17])=[CH:5]2)[CH2:4][CH2:2][N:14]1[CH2:7][CH:10]([CH2:8][OH:16])[OH:18]

Parent-child relations graph

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