**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Barnidipine metabolite 2

Properties Image MNX_ID MNXM1593458 reference vmhM:barndpinem2 vmhM:barndpinem2 formula C20H22N3O6 global charge 1 mol weight 400.411 InChIKey GWRQSBMZLUAKSI-HNNXBMFYSA-O InChI InChI=1S/C20H21N3O6/c1-11-16(19(24)28-3)18(13-5-4-6-14(9-13)23(26)27)17(12(2)22-11)20(25)29-15-7-8-21-10-15/h4-6,9,15,21H,7-8,10H2,1-3H3/p+1/t15-/m0/s1 SMILES COC(=O)c1c(C)nc(C)c(C(=O)O[C@H]2CC[NH2+]C2)c1-c1cccc([N+](=O)[O-])c1 MNX internals InChI (mnx) InChI=1/C20H21N3O6/c1-11-16(19(24)28-3)18(13-5-4-6-14(9-13)23(26)27)17(12(2)22-11)20(25)29-15-7-8-21-10-15/h4-6,9,15,21H,7-8,10H2,1-3H3/t15-/m0/s1 SMILES (mnx) [CH3:1][c:11]1[c:16]([C:19](=[O:24])[O:28][CH3:3])[c:18](-[c:13]2[cH:5][cH:4][cH:6][c:14]([N+:23]([O-:26])=[O:27])[cH:9]2)[c:17]([C:20](=[O:25])[O:29][C@H:15]2[CH2:7][CH2:8][NH:21][CH2:10]2)[c:12]([CH3:2])[n:22]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:barndpinem2 vmhM:barndpinem2 vmhmetabolite:barndpinem2 vmhmetabolite:barndpinem2 GWRQSBMZLUAKSI-HNNXBMFYSA-O	Barnidipine metabolite 2
vmhM:M_barndpinem2	secondary/obsolete/fantasy identifier