(S)-corytuberine

Properties Image MNX_ID MNXM5395 reference chebi:81200 formula C19H21NO4 global charge 0 mol weight 327.38 InChIKey WHFUDAOCYRYAKQ-LBPRGKRZSA-N InChI InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1 SMILES COC1=CC2=C3C(=C1O)C1=C(C=CC(OC)=C1O)C[C@@H]3N(C)CC2 MNX internals InChI (mnx) InChI=1/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1 SMILES (mnx) [CH3:1][N:20]1[CH2:7][CH2:6][C:11]2=[CH:9][C:14]([O:24][CH3:3])=[C:19]([OH:22])[C:17]3=[C:15]2[C@@H:12]1[CH2:8][C:10]1=[C:16]3[C:18]([OH:21])=[C:13]([O:23][CH3:2])[CH:5]=[CH:4]1

Parent-child relations graph

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