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Barnidipine metabolite 3

Properties Image MNX_ID MNXM1593459 reference vmhM:barndpinem3 vmhM:barndpinem3 formula C16H15N2O6 global charge -1 mol weight 331.304 InChIKey JPXPPUOCSLMCHK-CQSZACIVSA-M InChI InChI=1S/C16H16N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-5-4-6-11(7-10)18(22)23/h4-7,14,17H,1-3H3,(H,19,20)/p-1/t14-/m1/s1 SMILES COC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@H]1c1cccc([N+](=O)[O-])c1 MNX internals InChI (mnx) InChI=1/C16H16N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-5-4-6-11(7-10)18(22)23/h4-7,14,17H,1-3H3,(H,19,20)/t14-/m1/s1 SMILES (mnx) [CH3:1][C:8]1=[C:12]([C:15]([OH:19])=[O:20])[C@@H:14]([c:10]2[cH:5][cH:4][cH:6][c:11]([N+:18]([O-:22])=[O:23])[cH:7]2)[C:13]([C:16](=[O:21])[O:24][CH3:3])=[C:9]([CH3:2])[NH:17]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 11 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:barndpinem3 vmhM:barndpinem3 vmhmetabolite:barndpinem3 vmhmetabolite:barndpinem3 JPXPPUOCSLMCHK-CQSZACIVSA-M	Barnidipine metabolite 3
vmhM:benidpinem2 vmhM:benidpinem2 vmhmetabolite:benidpinem2 vmhmetabolite:benidpinem2 JPXPPUOCSLMCHK-UHFFFAOYSA-M	Benidipine metabolite 2
vmhM:manidpinem1 vmhM:manidpinem1 vmhmetabolite:manidpinem1 vmhmetabolite:manidpinem1 JPXPPUOCSLMCHK-UHFFFAOYSA-M	Manidipine metabolite M1
vmhM:nicadpines17 vmhM:nicadpines17 vmhmetabolite:nicadpines17 vmhmetabolite:nicadpines17 JPXPPUOCSLMCHK-UHFFFAOYSA-M	Nicardipine metabolite S17
vmhM:nitrdpinem4a vmhM:nitrdpinem4a vmhmetabolite:nitrdpinem4a vmhmetabolite:nitrdpinem4a JPXPPUOCSLMCHK-UHFFFAOYSA-M	Nitrendipine metabolite 4a
vmhM:M_barndpinem3 vmhM:M_benidpinem2 vmhM:M_manidpinem1 vmhM:M_nicadpines17 vmhM:M_nitrdpinem4a	secondary/obsolete/fantasy identifier