Caffeoyltryptamine

Properties Image MNX_ID MNXM819731 reference chebi:176347 formula C19H18N2O3 global charge 0 mol weight 322.364 InChIKey LNKPAQNDSCOUPS-SOFGYWHQSA-N InChI InChI=1S/C19H18N2O3/c22-17-7-5-13(11-18(17)23)6-8-19(24)20-10-9-14-12-21-16-4-2-1-3-15(14)16/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-6+ SMILES O=C(/C=C/C1=CC(O)=C(O)C=C1)NCCC1=CNC2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C19H18N2O3/c22-17-7-5-13(11-18(17)23)6-8-19(24)20-10-9-14-12-21-16-4-2-1-3-15(14)16/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-6+ SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:16]2[C:15](=[CH:3]1)[C:14]([CH2:9][CH2:10]/[N:20]=[C:19](/[CH:8]=[CH:6]/[C:13]1=[CH:11][C:18]([OH:23])=[C:17]([OH:22])[CH:7]=[CH:5]1)[OH:24])=[CH:12][NH:21]2

Parent-child relations graph

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