(S)-cis-N-methylstylopine

Properties Image MNX_ID MNXM31809 reference chebi:444 formula C20H20NO4 global charge 1 mol weight 338.383 InChIKey GBUUKFRQPCPYPW-KKSFZXQISA-N InChI InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1 SMILES C[N@@+]12CCC3=C(C=C4OCOC4=C3)[C@@H]1CC1=C(C2)C2=C(C=C1)OCO2 MNX internals InChI (mnx) InChI=1/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1 SMILES (mnx) [CH3:1][N@@+:21]12[CH2:5][CH2:4][C:13]3=[CH:7][C:18]4=[C:19]([CH:8]=[C:14]3[C@@H:16]1[CH2:6][C:12]1=[C:15]([CH2:9]2)[C:20]2=[C:17]([CH:3]=[CH:2]1)[O:22][CH2:11][O:25]2)[O:24][CH2:10][O:23]4

Parent-child relations graph

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