4-amino-2,6-dinitrotoluene beta-D-glucoside

Properties Image MNX_ID MNXM14706 reference chebi:231524 formula C13H17N3O9 global charge 0 mol weight 359.291 InChIKey YGGQRUODYYKCTL-UJPOAAIJSA-N InChI InChI=1S/C13H17N3O9/c1-5-7(15(21)22)2-6(3-8(5)16(23)24)14-13-12(20)11(19)10(18)9(4-17)25-13/h2-3,9-14,17-20H,4H2,1H3/t9-,10-,11+,12-,13-/m1/s1 SMILES CC1=C([N+](=O)[O-])C=C(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1[N+](=O)[O-] MNX internals InChI (mnx) InChI=1/C13H17N3O9/c1-5-7(15(21)22)2-6(3-8(5)16(23)24)14-13-12(20)11(19)10(18)9(4-17)25-13/h2-3,9-14,17-20H,4H2,1H3/t9-,10-,11+,12-,13-/m1/s1 SMILES (mnx) [CH3:1][C:5]1=[C:7]([N+:15]([O-:21])=[O:22])[CH:2]=[C:6]([NH:14][C@H:13]2[C@H:12]([OH:20])[C@@H:11]([OH:19])[C@H:10]([OH:18])[C@@H:9]([CH2:4][OH:17])[O:25]2)[CH:3]=[C:8]1[N+:16]([O-:23])=[O:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0