compound 0100126

Properties Image MNX_ID MNXM1192562 reference envipathM:...0e8a685a9581 formula C12H16N2O5 global charge 0 mol weight 268.269 InChIKey RCDMQEPGHOHFTJ-UHFFFAOYSA-N InChI InChI=1S/C12H16N2O5/c1-7-4-9(17)12(19)8(6-16)11(7)14-10(18)5-13-2-3-15/h4,6,13,15,17,19H,2-3,5H2,1H3,(H,14,18) SMILES CC1=C(/N=C(\O)CNCCO)C(C=O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C12H16N2O5/c1-7-4-9(17)12(19)8(6-16)11(7)14-10(18)5-13-2-3-15/h4,6,13,15,17,19H,2-3,5H2,1H3,(H,14,18) SMILES (mnx) [CH3:1][C:7]1=[CH:4][C:9]([OH:17])=[C:12]([OH:19])[C:8]([CH:6]=[O:16])=[C:11]1[N:14]=[C:10]([CH2:5][NH:13][CH2:2][CH2:3][OH:15])[OH:18]

Parent-child relations graph

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