Nb-Feruloyltryptamine

Properties Image MNX_ID MNXM128601 reference chebi:174537 formula C20H20N2O3 global charge 0 mol weight 336.391 InChIKey LWRQDNUXWLIWDB-VQHVLOKHSA-N InChI InChI=1S/C20H20N2O3/c1-25-19-12-14(6-8-18(19)23)7-9-20(24)21-11-10-15-13-22-17-5-3-2-4-16(15)17/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-7+ SMILES COC1=C(O)C=CC(/C=C/C(=O)NCCC2=CNC3=C2C=CC=C3)=C1 MNX internals InChI (mnx) InChI=1/C20H20N2O3/c1-25-19-12-14(6-8-18(19)23)7-9-20(24)21-11-10-15-13-22-17-5-3-2-4-16(15)17/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-7+ SMILES (mnx) [CH3:1][O:25][C:19]1=[C:18]([OH:23])[CH:8]=[CH:6][C:14](/[CH:7]=[CH:9]/[C:20](=[N:21]/[CH2:11][CH2:10][C:15]2=[CH:13][NH:22][C:17]3=[CH:5][CH:3]=[CH:2][CH:4]=[C:16]23)[OH:24])=[CH:12]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0