cinnamoylserotonin

Properties Image MNX_ID MNXM16708 reference metacycM:CPD-8937 formula C19H18N2O2 global charge 0 mol weight 306.365 InChIKey FRAFXYQJEIADQB-RMKNXTFCSA-N InChI InChI=1S/C19H18N2O2/c22-16-7-8-18-17(12-16)15(13-21-18)10-11-20-19(23)9-6-14-4-2-1-3-5-14/h1-9,12-13,21-22H,10-11H2,(H,20,23)/b9-6+ SMILES O=C(/C=C/C1=CC=CC=C1)NCCC1=CNC2=C1C=C(O)C=C2 MNX internals InChI (mnx) InChI=1/C19H18N2O2/c22-16-7-8-18-17(12-16)15(13-21-18)10-11-20-19(23)9-6-14-4-2-1-3-5-14/h1-9,12-13,21-22H,10-11H2,(H,20,23)/b9-6+ SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:14](/[CH:6]=[CH:9]/[C:19](=[N:20]/[CH2:11][CH2:10][C:15]2=[CH:13][NH:21][C:18]3=[C:17]2[CH:12]=[C:16]([OH:22])[CH:7]=[CH:8]3)[OH:23])[CH:5]=[CH:3]1

Parent-child relations graph

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