Cannabisativine

Properties Image MNX_ID MNXM45391 reference chebi:3361 formula C21H39N3O3 global charge 0 mol weight 381.561 InChIKey KZZKPJBKEJKNAK-HUUJSLGLSA-N InChI InChI=1S/C21H39N3O3/c1-2-3-4-11-19(25)21(27)18-10-7-9-17-16-20(26)23-14-6-5-12-22-13-8-15-24(17)18/h7,10,17-19,21-22,25,27H,2-6,8-9,11-16H2,1H3,(H,23,26)/t17-,18-,19+,21-/m0/s1 SMILES CCCCC[C@@H](O)[C@@H](O)[C@@H]1C=CC[C@H]2CC(=O)NCCCCNCCCN21 MNX internals InChI (mnx) InChI=1/C21H39N3O3/c1-2-3-4-11-19(25)21(27)18-10-7-9-17-16-20(26)23-14-6-5-12-22-13-8-15-24(17)18/h7,10,17-19,21-22,25,27H,2-6,8-9,11-16H2,1H3,(H,23,26)/t17-,18-,19+,21-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:11][C@H:19]([C@H:21]([C@@H:18]1[CH:10]=[CH:7][CH2:9][C@H:17]2[CH2:16][C:20]([OH:26])=[N:23][CH2:14][CH2:6][CH2:5][CH2:12][NH:22][CH2:13][CH2:8][CH2:15][N:24]21)[OH:27])[OH:25]

Parent-child relations graph

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