Avenanthramide 1p

Properties Image MNX_ID MNXM119544 reference chebi:174705 formula C16H13NO4 global charge 0 mol weight 283.283 InChIKey INBHLTYBRKASIZ-JXMROGBWSA-N InChI InChI=1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7+ SMILES O=C(/C=C/C1=CC=C(O)C=C1)NC1=C(C(=O)O)C=CC=C1 MNX internals InChI (mnx) InChI=1/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7+ SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:14](/[N:17]=[C:15](/[CH:10]=[CH:7]/[C:11]2=[CH:6][CH:9]=[C:12]([OH:18])[CH:8]=[CH:5]2)[OH:19])[C:13]([C:16](=[O:20])[OH:21])=[CH:3]1

Parent-child relations graph

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