Details of 3-CAFFEOYLQUINIC-ACID
| IUPAC | (3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxycyclohexene-1-carboxylic acid |
| Canonical Smiles | C1C(C(C(C=C1C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| Inchi | MRDAXWGGWWDUKL-VKJPNVGWSA-N |
| PubChem ID | 10131826 |
| Smiles | O=C(C=Cc1ccc(O)c(O)c1)OC1=CC(C(=O)O)CC(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC%28C%3DCc1ccc%28O%29c%28O%29c1%29OC1%3DCC%28C%28%3DO%29O%29CC%28O%29C1O/file?format=sdf&get3d=True -- O%3DC%28C%3DCc1ccc%28O%29c%28O%29c1%29OC1%3DCC%28C%28%3DO%29O%29CC%28O%29C1O could not be loaded.
| Class | Cinnamic acids and derivatives |
| Super Class | Phenylpropanoids (C6-C3) |
| Pathways | Shikimates and Phenylpropanoids |
