dihydropapaverine

Properties Image MNX_ID MNXM148225 reference metacycM:CPD-15800 formula C20H23NO4 global charge 0 mol weight 341.407 InChIKey BWRURUOKCJLFSV-INIZCTEOSA-N InChI InChI=1S/C20H23NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12,16,21H,9H2,1-4H3/t16-/m0/s1 SMILES COC1=C(OC)C=C(C[C@@H]2NC=CC3=CC(OC)=C(OC)C=C32)C=C1 MNX internals InChI (mnx) InChI=1/C20H23NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12,16,21H,9H2,1-4H3/t16-/m0/s1 SMILES (mnx) [CH3:1][O:22][C:17]1=[C:18]([O:23][CH3:2])[CH:10]=[C:13]([CH2:9][C@H:16]2[C:15]3=[CH:12][C:20]([O:25][CH3:4])=[C:19]([O:24][CH3:3])[CH:11]=[C:14]3[CH:7]=[CH:8][NH:21]2)[CH:5]=[CH:6]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0