N-feruloylserotonin

Properties Image MNX_ID MNXM17653 reference chebi:85158 formula C20H20N2O4 global charge 0 mol weight 352.39 InChIKey WGHKJYWENWLOMY-XVNBXDOJSA-N InChI InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+ SMILES COC1=CC(/C=C/C(=O)NCCC2=CNC3=CC=C(O)C=C23)=CC=C1O MNX internals InChI (mnx) InChI=1/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+ SMILES (mnx) [CH3:1][O:26][C:19]1=[C:18]([OH:24])[CH:6]=[CH:2][C:13](/[CH:3]=[CH:7]/[C:20](=[N:21]/[CH2:9][CH2:8][C:14]2=[CH:12][NH:22][C:17]3=[C:16]2[CH:11]=[C:15]([OH:23])[CH:4]=[CH:5]3)[OH:25])=[CH:10]1

Parent-child relations graph

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