Elymoclavine

Properties Image MNX_ID MNXM5735 reference chebi:4777 formula C16H18N2O global charge 0 mol weight 254.333 InChIKey DAVNRFCJMIONPO-UKRRQHHQSA-N InChI InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3/t13-,15-/m1/s1 SMILES CN1CC(CO)=C[C@@H]2C3=CC=CC4=C3C(=CN4)C[C@H]21 MNX internals InChI (mnx) InChI=1/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3/t13-,15-/m1/s1 SMILES (mnx) [CH3:1][N:18]1[CH2:8][C:10]([CH2:9][OH:19])=[CH:5][C@@H:13]2[C:12]3=[C:16]4[C:11](=[CH:7][NH:17][C:14]4=[CH:4][CH:2]=[CH:3]3)[CH2:6][C@H:15]21

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 0