compound 0103453

Properties Image MNX_ID MNXM1187200 reference envipathM:...30638e7ca05e formula C13H18N2O5 global charge 0 mol weight 282.296 InChIKey NZOLBHNUVVAGKU-UHFFFAOYSA-N InChI InChI=1S/C13H18N2O5/c1-3-15(4-5-16)7-10(18)14-11-8(2)6-9(17)12(19)13(11)20/h5-6,17,19-20H,3-4,7H2,1-2H3,(H,14,18) SMILES CCN(CC=O)C/C(O)=N/C1=C(C)C=C(O)C(O)=C1O MNX internals InChI (mnx) InChI=1/C13H18N2O5/c1-3-15(4-5-16)7-10(18)14-11-8(2)6-9(17)12(19)13(11)20/h5-6,17,19-20H,3-4,7H2,1-2H3,(H,14,18) SMILES (mnx) [CH3:1][CH2:3][N:15]([CH2:4][CH:5]=[O:16])[CH2:7][C:10](=[N:14][C:11]1=[C:13]([OH:20])[C:12]([OH:19])=[C:9]([OH:17])[CH:6]=[C:8]1[CH3:2])[OH:18]

Parent-child relations graph

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