columbamine

Properties Image MNX_ID MNXM1818 reference chebi:15920 formula C20H20NO4 global charge 1 mol weight 338.383 InChIKey YYFOFDHQVIODOQ-UHFFFAOYSA-O InChI InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1 SMILES COC1=CC2=C(C=C1O)C1=CC3=CC=C(OC)C(OC)=C3C=[N+]1CC2 MNX internals InChI (mnx) InChI=1/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3 SMILES (mnx) [CH3:1][O:23][C:18]1=[C:20]([O:25][CH3:3])[C:15]2=[CH:11][N+:21]3=[C:16]([CH:8]=[C:12]2[CH:4]=[CH:5]1)[C:14]1=[CH:10][C:17]([O-:22])=[C:19]([O:24][CH3:2])[CH:9]=[C:13]1[CH2:6][CH2:7]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0