Avenanthramide E

Properties Image MNX_ID MNXM119543 reference chebi:174266 formula C17H15NO5 global charge 0 mol weight 313.309 InChIKey FSKJPXSYWQUVGO-VQHVLOKHSA-N InChI InChI=1S/C17H15NO5/c1-23-15-10-11(6-8-14(15)19)7-9-16(20)18-13-5-3-2-4-12(13)17(21)22/h2-10,19H,1H3,(H,18,20)(H,21,22)/b9-7+ SMILES COC1=C(O)C=CC(/C=C/C(=O)NC2=C(C(=O)O)C=CC=C2)=C1 MNX internals InChI (mnx) InChI=1/C17H15NO5/c1-23-15-10-11(6-8-14(15)19)7-9-16(20)18-13-5-3-2-4-12(13)17(21)22/h2-10,19H,1H3,(H,18,20)(H,21,22)/b9-7+ SMILES (mnx) [CH3:1][O:23][C:15]1=[C:14]([OH:19])[CH:8]=[CH:6][C:11](/[CH:7]=[CH:9]/[C:16](=[N:18]/[C:13]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:12]2[C:17](=[O:21])[OH:22])[OH:20])=[CH:10]1

Parent-child relations graph

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