compound 0067293

Properties Image MNX_ID MNXM1181842 reference envipathM:...6262be9ae7ff formula C13H20N2O5 global charge 0 mol weight 284.312 InChIKey IKHHGDAVBXNCSH-UHFFFAOYSA-N InChI InChI=1S/C13H20N2O5/c16-8-9(17)7-14-3-5-15(6-4-14)12-10(18)1-2-11(19)13(12)20/h1-2,9,16-20H,3-8H2 SMILES OCC(O)CN1CCN(C2=C(O)C(O)=CC=C2O)CC1 MNX internals InChI (mnx) InChI=1/C13H20N2O5/c16-8-9(17)7-14-3-5-15(6-4-14)12-10(18)1-2-11(19)13(12)20/h1-2,9,16-20H,3-8H2/t9? SMILES (mnx) [CH:1]1=[CH:2][C:11]([OH:19])=[C:13]([OH:20])[C:12]([N:15]2[CH2:5][CH2:3][N:14]([CH2:7][CH:9]([CH2:8][OH:16])[OH:17])[CH2:4][CH2:6]2)=[C:10]1[OH:18]

Parent-child relations graph

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