N-Formyldemecolcine

Properties Image MNX_ID MNXM7570 reference chebi:80675 formula C22H25NO6 global charge 0 mol weight 399.443 InChIKey HTWMEJLBEVTMMZ-INIZCTEOSA-N InChI InChI=1S/C22H25NO6/c1-23(12-24)16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-12,16H,6,8H2,1-5H3/t16-/m0/s1 SMILES COC1=CC=C2C(=CC1=O)[C@@H](N(C)C=O)CCC1=CC(OC)=C(OC)C(OC)=C12 MNX internals InChI (mnx) InChI=1/C22H25NO6/c1-23(12-24)16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-12,16H,6,8H2,1-5H3/t16-/m0/s1 SMILES (mnx) [CH3:1][N:23]([CH:12]=[O:24])[C@H:16]1[CH2:8][CH2:6][C:13]2=[C:20]([C:14]3=[CH:7][CH:9]=[C:18]([O:26][CH3:2])[C:17](=[O:25])[CH:11]=[C:15]31)[C:22]([O:29][CH3:5])=[C:21]([O:28][CH3:4])[C:19]([O:27][CH3:3])=[CH:10]2

Parent-child relations graph

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