compound 0106411

Properties Image MNX_ID MNXM1188177 reference envipathM:...7acafd68ef2f formula C11H16N2O5 global charge 0 mol weight 256.258 InChIKey DVFPOUWUSZFTBB-WLRTZDKTSA-N InChI InChI=1S/C11H16N2O5/c1-6-7(15)4-8(16)11(18)10(6)13-5-9(17)12-2-3-14/h4-5,9,12,14-18H,2-3H2,1H3/b13-5+ SMILES CC1=C(O)C=C(O)C(O)=C1/N=C/C(O)NCCO MNX internals InChI (mnx) InChI=1/C11H16N2O5/c1-6-7(15)4-8(16)11(18)10(6)13-5-9(17)12-2-3-14/h4-5,9,12,14-18H,2-3H2,1H3/b13-5+/t9? SMILES (mnx) [CH3:1][C:6]1=[C:10](/[N:13]=[CH:5]/[CH:9]([NH:12][CH2:2][CH2:3][OH:14])[OH:17])[C:11]([OH:18])=[C:8]([OH:16])[CH:4]=[C:7]1[OH:15]

Parent-child relations graph

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