aspidospermidine

Properties Image MNX_ID MNXM42842 reference chebi:38486 formula C19H26N2 global charge 0 mol weight 282.431 InChIKey YAAIPCQYJYPITK-NCXUSEDFSA-N InChI InChI=1S/C19H26N2/c1-2-18-9-5-12-21-13-11-19(17(18)21)14-6-3-4-7-15(14)20-16(19)8-10-18/h3-4,6-7,16-17,20H,2,5,8-13H2,1H3/t16-,17-,18-,19-/m1/s1 SMILES CC[C@@]12CCCN3CC[C@]4(C5=CC=CC=C5N[C@@H]4CC1)[C@H]32 MNX internals InChI (mnx) InChI=1/C19H26N2/c1-2-18-9-5-12-21-13-11-19(17(18)21)14-6-3-4-7-15(14)20-16(19)8-10-18/h3-4,6-7,16-17,20H,2,5,8-13H2,1H3/t16-,17-,18-,19-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][C@@:18]12[CH2:9][CH2:5][CH2:12][N:21]3[CH2:13][CH2:11][C@:19]4([C:14]5=[CH:6][CH:3]=[CH:4][CH:7]=[C:15]5[NH:20][C@@H:16]4[CH2:8][CH2:10]1)[C@@H:17]23

Parent-child relations graph

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