4-coumaroyltriacetic acid lactone

Properties Image MNX_ID MNXM12564 reference chebi:78023 formula C15H12O5 global charge 0 mol weight 272.256 InChIKey ZUILKEWVWUKSAO-ZZXKWVIFSA-N InChI InChI=1S/C15H12O5/c16-11-4-1-10(2-5-11)3-6-12(17)7-14-8-13(18)9-15(19)20-14/h1-6,8-9,16,18H,7H2/b6-3+ SMILES O=C(/C=C/C1=CC=C(O)C=C1)CC1=CC(O)=CC(=O)O1 MNX internals InChI (mnx) InChI=1/C15H12O5/c16-11-4-1-10(2-5-11)3-6-12(17)7-14-8-13(18)9-15(19)20-14/h1-6,8-9,16,18H,7H2/b6-3+ SMILES (mnx) [CH:1]1=[CH:4][C:11]([OH:16])=[CH:5][CH:2]=[C:10]1/[CH:3]=[CH:6]/[C:12]([CH2:7][C:14]1=[CH:8][C:13]([OH:18])=[CH:9][C:15](=[O:19])[O:20]1)=[O:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0