5,5'-dehydrodivanillate

Properties Image MNX_ID MNXM10278 reference chebi:141401 formula C16H12O8 global charge -2 mol weight 332.264 InChIKey QGCWGSXMGCSFDM-UHFFFAOYSA-L InChI InChI=1S/C16H14O8/c1-23-11-5-7(15(19)20)3-9(13(11)17)10-4-8(16(21)22)6-12(24-2)14(10)18/h3-6,17-18H,1-2H3,(H,19,20)(H,21,22)/p-2 SMILES COC1=CC(C(=O)[O-])=CC(C2=C(O)C(OC)=CC(C(=O)[O-])=C2)=C1O MNX internals InChI (mnx) InChI=1/C16H14O8/c1-23-11-5-7(15(19)20)3-9(13(11)17)10-4-8(16(21)22)6-12(24-2)14(10)18/h3-6,17-18H,1-2H3,(H,19,20)(H,21,22) SMILES (mnx) [CH3:1][O:23][C:11]1=[CH:5][C:7]([C:15](=[O:19])[OH:20])=[CH:3][C:9]([C:10]2=[C:14]([OH:18])[C:12]([O:24][CH3:2])=[CH:6][C:8]([C:16](=[O:21])[OH:22])=[CH:4]2)=[C:13]1[OH:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0