3-Hydroxymorphinan

Properties Image MNX_ID MNXM1560277 reference vmhM:3oh_mxn formula C16H22NO global charge 1 mol weight 244.358 InChIKey IYNWSQDZXMGGGI-CWRNSKLLSA-O InChI InChI=1S/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/p+1/t13-,15-,16+/m0/s1 SMILES OC1=CC=C2C[C@@H]3[NH2+]CC[C@@]4(CCCC[C@@H]34)C2=C1 MNX internals InChI (mnx) InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15-,16+/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:6][C@:16]23[CH2:7][CH2:8][NH:17][C@@H:15]([CH2:9][C:11]4=[CH:4][CH:5]=[C:12]([OH:18])[CH:10]=[C:14]42)[C@@H:13]3[CH2:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0