2'-norberbamunine

Properties Image MNX_ID MNXM9741 reference chebi:845 formula C35H38N2O6 global charge 0 mol weight 582.697 InChIKey MLNXJBWXCQOCIN-URLMMPGGSA-N InChI InChI=1S/C35H38N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-6-9-30(38)35(16-22)43-25-7-4-21(5-8-25)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h4-9,16-20,28-29,36,38-40H,10-15H2,1-3H3/t28-,29+/m0/s1 SMILES COC1=CC2=C(C=C1O)[C@H](CC1=CC=C(OC3=C(O)C=CC(C[C@@H]4C5=CC(O)=C(OC)C=C5CCN4C)=C3)C=C1)NCC2 MNX internals InChI (mnx) InChI=1/C35H38N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-6-9-30(38)35(16-22)43-25-7-4-21(5-8-25)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h4-9,16-20,28-29,36,38-40H,10-15H2,1-3H3/t28-,29+/m0/s1 SMILES (mnx) [CH3:1][N:37]1[CH2:13][CH2:11][C:24]2=[CH:18][C:34]([O:42][CH3:3])=[C:32]([OH:40])[CH:20]=[C:27]2[C@H:29]1[CH2:15][C:22]1=[CH:16][C:35]([O:43][C:25]2=[CH:8][CH:5]=[C:21]([CH2:14][C@H:28]3[C:26]4=[CH:19][C:31]([OH:39])=[C:33]([O:41][CH3:2])[CH:17]=[C:23]4[CH2:10][CH2:12][NH:36]3)[CH:4]=[CH:7]2)=[C:30]([OH:38])[CH:9]=[CH:6]1

Parent-child relations graph

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