Na-p-Hydroxycoumaroyltryptophan

Properties Image MNX_ID MNXM128565 reference chebi:175475 formula C20H18N2O4 global charge 0 mol weight 350.374 InChIKey IDUPBPKKEQWWCP-JXMROGBWSA-N InChI InChI=1S/C20H18N2O4/c23-15-8-5-13(6-9-15)7-10-19(24)22-18(20(25)26)11-14-12-21-17-4-2-1-3-16(14)17/h1-10,12,18,21,23H,11H2,(H,22,24)(H,25,26)/b10-7+ SMILES O=C(/C=C/C1=CC=C(O)C=C1)NC(CC1=CNC2=C1C=CC=C2)C(=O)O MNX internals InChI (mnx) InChI=1/C20H18N2O4/c23-15-8-5-13(6-9-15)7-10-19(24)22-18(20(25)26)11-14-12-21-17-4-2-1-3-16(14)17/h1-10,12,18,21,23H,11H2,(H,22,24)(H,25,26)/b10-7+/t18? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:17]2[C:16](=[CH:3]1)[C:14]([CH2:11][CH:18]([C:20](=[O:25])[OH:26])/[N:22]=[C:19](/[CH:10]=[CH:7]/[C:13]1=[CH:6][CH:9]=[C:15]([OH:23])[CH:8]=[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) 0 in models (compartimentalized) 0