caffeic acid

Properties Image MNX_ID MNXM1370996 reference chebi:36281 formula C9H8O4 global charge 0 mol weight 180.159 InChIKey QAIPRVGONGVQAS-UHFFFAOYSA-N InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) SMILES O=C(O)C=CC1=CC(O)=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2? SMILES (mnx) [CH:1]1=[CH:3][C:7]([OH:10])=[C:8]([OH:11])[CH:5]=[C:6]1[CH:2]=[CH:4][C:9](=[O:12])[OH:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 19 in models (compartimentalized) 3