20(S)-tubotaiwine

Properties Image MNX_ID MNXM101673 reference chebi:70515 formula C20H24N2O2 global charge 0 mol weight 324.424 InChIKey RLAKWLFUMAABBE-STJTYLQHSA-N InChI InChI=1S/C20H24N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h4-7,12-13,18,21H,3,8-11H2,1-2H3/t12-,13-,18+,20+/m0/s1 SMILES CC[C@H]1[C@@H]2CCN3CC[C@]4(C5=C(C=CC=C5)NC4=C2C(=O)OC)[C@@H]13 MNX internals InChI (mnx) InChI=1/C20H24N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h4-7,12-13,18,21H,3,8-11H2,1-2H3/t12-,13-,18+,20+/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:12]1[C@@H:13]2[CH2:8][CH2:10][N:22]3[CH2:11][CH2:9][C@:20]4([C:14]5=[CH:6][CH:4]=[CH:5][CH:7]=[C:15]5[NH:21][C:17]4=[C:16]2[C:19](=[O:23])[O:24][CH3:2])[C@@H:18]13

Parent-child relations graph

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