5-formylferulate

Properties Image MNX_ID MNXM148671 reference metacycM:CPD-17081 formula C11H9O5 global charge -1 mol weight 221.188 InChIKey CDBKCIOGROFMEO-NSCUHMNNSA-M InChI InChI=1S/C11H10O5/c1-16-9-5-7(2-3-10(13)14)4-8(6-12)11(9)15/h2-6,15H,1H3,(H,13,14)/p-1/b3-2+ SMILES COC1=CC(/C=C/C(=O)[O-])=CC(C=O)=C1O MNX internals InChI (mnx) InChI=1/C11H10O5/c1-16-9-5-7(2-3-10(13)14)4-8(6-12)11(9)15/h2-6,15H,1H3,(H,13,14)/b3-2+ SMILES (mnx) [CH3:1][O:16][C:9]1=[CH:5][C:7](/[CH:2]=[CH:3]/[C:10](=[O:13])[OH:14])=[CH:4][C:8]([CH:6]=[O:12])=[C:11]1[OH:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0