2-hydroxyamino-MeIQx-N2-(beta-1-glucosiduronyl)-2-hydroxyamino-3,8-dimethylimidazo[4,5-f]quinoxaline

Properties Image MNX_ID MNXM165945 reference biggM:CE2616 formula C17H18N5O7 global charge -1 mol weight 404.359 InChIKey KQXABOQRCQHWAK-KHMAMNHCSA-M InChI InChI=1S/C17H19N5O7/c1-6-5-18-7-3-4-8-10(9(7)19-6)20-17(21(8)2)22(28)15-13(25)11(23)12(24)14(29-15)16(26)27/h3-5,11-15,23-25,28H,1-2H3,(H,26,27)/p-1/t11-,12+,13-,14-,15+/m1/s1 SMILES CC1=CN=C2C=CC3=C(N=C(N(O)[C@H]4O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]4O)N3C)C2=N1 MNX internals InChI (mnx) InChI=1/C17H19N5O7/c1-6-5-18-7-3-4-8-10(9(7)19-6)20-17(21(8)2)22(28)15-13(25)11(23)12(24)14(29-15)16(26)27/h3-5,11-15,23-25,28H,1-2H3,(H,26,27)/t11-,12+,13-,14-,15+/m1/s1 SMILES (mnx) [CH3:1][C:6]1=[N:19][C:9]2=[C:7]([CH:3]=[CH:4][C:8]3=[C:10]2[N:20]=[C:17]([N:22]([C@@H:15]2[C@H:13]([OH:25])[C@H:11]([OH:23])[C@H:12]([OH:24])[C@H:14]([C:16](=[O:26])[OH:27])[O:29]2)[OH:28])[N:21]3[CH3:2])[N:18]=[CH:5]1

Parent-child relations graph

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