chelerythrine

Properties Image MNX_ID MNXM46264 reference chebi:78373 formula C21H18NO4 global charge 1 mol weight 348.378 InChIKey LLEJIEBFSOEYIV-UHFFFAOYSA-N InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1 SMILES COC1=C(OC)C2=C[N+](C)=C3C4=C(C=CC3=C2C=C1)C=C1OCOC1=C4 MNX internals InChI (mnx) InChI=1/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1 SMILES (mnx) [CH3:1][N+:22]1=[C:20]2[C:14](=[C:13]3[CH:6]=[CH:7][C:17]([O:23][CH3:2])=[C:21]([O:24][CH3:3])[C:16]3=[CH:10]1)[CH:5]=[CH:4][C:12]1=[CH:8][C:18]3=[C:19]([CH:9]=[C:15]12)[O:26][CH2:11][O:25]3

Parent-child relations graph

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