N-Demethylnarwedine

Properties Image MNX_ID MNXM7569 reference chebi:80668 formula C16H17NO3 global charge 0 mol weight 271.316 InChIKey YDTYNIAJZIKMST-BBRMVZONSA-N InChI InChI=1S/C16H17NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,13,17H,6-9H2,1H3/t13-,16-/m0/s1 SMILES COC1=C2O[C@H]3CC(=O)C=C[C@]34CCNCC(=C24)C=C1 MNX internals InChI (mnx) InChI=1/C16H17NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,13,17H,6-9H2,1H3/t13-,16-/m0/s1 SMILES (mnx) [CH3:1][O:19][C:12]1=[C:15]2[C:14]3=[C:10]([CH:2]=[CH:3]1)[CH2:9][NH:17][CH2:7][CH2:6][C@:16]31[CH:5]=[CH:4][C:11](=[O:18])[CH2:8][C@@H:13]1[O:20]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0