11-Deoxytetrodotoxin

Properties Image MNX_ID MNXM33123 reference seedM:cpd21265 formula C11H18N3O7 global charge 1 mol weight 304.279 InChIKey XXUFXWUHBMGUMY-FDOMXQSUSA-O InChI InChI=1S/C11H17N3O7/c1-9(18)4-2-6(16)13-8(12)14-10(2)3(15)5(9)21-11(19,20-4)7(10)17/h2-7,15-19H,1H3,(H3,12,13,14)/p+1/t2-,3?,4-,5+,6+,7+,9+,10-,11+/m1/s1 SMILES C[C@]1(O)[C@@H]2O[C@]3(O)O[C@H]1C(O)[C@@]1([NH+]=C(N)N[C@@H](O)[C@@H]21)[C@@H]3O MNX internals InChI (mnx) InChI=1/C11H17N3O7/c1-9(18)4-2-6(16)13-8(12)14-10(2)3(15)5(9)21-11(19,20-4)7(10)17/h2-7,15-19H,1H3,(H3,12,13,14)/t2-,3?,4-,5+,6+,7+,9+,10-,11+/m1/s1 SMILES (mnx) [CH3:1][C@:9]1([OH:18])[C@H:4]2[C@@H:2]3[C@H:6]([OH:16])[NH:13][C:8](=[NH:12])[NH:14][C@@:10]34[CH:3]([OH:15])[C@@H:5]1[O:21][C@:11]([OH:19])([C@H:7]4[OH:17])[O:20]2

Parent-child relations graph

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