2-hydroxylamino-4,6-dinitrotoluene-3C-beta-D-glucoside

Properties Image MNX_ID MNXM14263 reference chebi:231525 formula C13H17N3O10 global charge 0 mol weight 375.29 InChIKey LQVHMKSGVVHSHF-HCLZXYDTSA-N InChI InChI=1S/C13H17N3O10/c1-4-5(15(22)23)2-6(16(24)25)8(9(4)14-21)13-12(20)11(19)10(18)7(3-17)26-13/h2,7,10-14,17-21H,3H2,1H3/t7-,10-,11+,12-,13+/m1/s1 SMILES CC1=C([N+](=O)[O-])C=C([N+](=O)[O-])C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1NO MNX internals InChI (mnx) InChI=1/C13H17N3O10/c1-4-5(15(22)23)2-6(16(24)25)8(9(4)14-21)13-12(20)11(19)10(18)7(3-17)26-13/h2,7,10-14,17-21H,3H2,1H3/t7-,10-,11+,12-,13+/m1/s1 SMILES (mnx) [CH3:1][C:4]1=[C:9]([NH:14][OH:21])[C:8]([C@H:13]2[C@H:12]([OH:20])[C@@H:11]([OH:19])[C@H:10]([OH:18])[C@@H:7]([CH2:3][OH:17])[O:26]2)=[C:6]([N+:16]([O-:24])=[O:25])[CH:2]=[C:5]1[N+:15]([O-:22])=[O:23]

Parent-child relations graph

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