compound 0051192

Properties Image MNX_ID MNXM1176404 reference envipathM:...e87b6aae3578 formula C13H13N3O3 global charge 0 mol weight 259.265 InChIKey ZPTJSRWXHHGOSU-UHFFFAOYSA-N InChI InChI=1S/C13H13N3O3/c17-7-8-5-11(13(19)12(18)6-8)16-14-9-3-1-2-4-10(9)15-16/h1-6,14-15,17-19H,7H2 SMILES OCC1=CC(O)=C(O)C(N2NC3=C(C=CC=C3)N2)=C1 MNX internals InChI (mnx) InChI=1/C13H13N3O3/c17-7-8-5-11(13(19)12(18)6-8)16-14-9-3-1-2-4-10(9)15-16/h1-6,14-15,17-19H,7H2 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[NH:14][N:16]([C:11]1=[C:13]([OH:19])[C:12]([OH:18])=[CH:6][C:8]([CH2:7][OH:17])=[CH:5]1)[NH:15]2

Parent-child relations graph

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