4-coumaryl-4-coumarate

Properties Image MNX_ID MNXM147385 reference metacycM:CPD-17610 formula C18H16O4 global charge 0 mol weight 296.322 InChIKey AMABNLPAOLRCOD-BRPQVOEQSA-N InChI InChI=1S/C18H16O4/c19-16-8-3-14(4-9-16)2-1-13-22-18(21)12-7-15-5-10-17(20)11-6-15/h1-12,19-20H,13H2/b2-1+,12-7+ SMILES O=C(/C=C/C1=CC=C(O)C=C1)OC/C=C/C1=CC=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C18H16O4/c19-16-8-3-14(4-9-16)2-1-13-22-18(21)12-7-15-5-10-17(20)11-6-15/h1-12,19-20H,13H2/b2-1+,12-7+ SMILES (mnx) [CH:1](=[CH:2]/[C:14]1=[CH:4][CH:9]=[C:16]([OH:19])[CH:8]=[CH:3]1)\[CH2:13][O:22][C:18](/[CH:12]=[CH:7]/[C:15]1=[CH:6][CH:11]=[C:17]([OH:20])[CH:10]=[CH:5]1)=[O:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0