N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid

Properties Image MNX_ID MNXM120021 reference chebi:174662 formula C13H13NO6 global charge 0 mol weight 279.248 InChIKey FKBRNPNAUOXZMQ-ZZXKWVIFSA-N InChI InChI=1S/C13H13NO6/c15-9-4-1-8(2-5-9)3-6-11(16)14-10(13(19)20)7-12(17)18/h1-6,10,15H,7H2,(H,14,16)(H,17,18)(H,19,20)/b6-3+ SMILES O=C(O)CC(NC(=O)/C=C/C1=CC=C(O)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C13H13NO6/c15-9-4-1-8(2-5-9)3-6-11(16)14-10(13(19)20)7-12(17)18/h1-6,10,15H,7H2,(H,14,16)(H,17,18)(H,19,20)/b6-3+/t10? SMILES (mnx) [CH:1]1=[CH:4][C:9]([OH:15])=[CH:5][CH:2]=[C:8]1/[CH:3]=[CH:6]/[C:11](=[N:14]/[CH:10]([CH2:7][C:12](=[O:17])[OH:18])[C:13](=[O:19])[OH:20])[OH:16]

Parent-child relations graph

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