Details of ISOCHLOROGENIC-ACID
| IUPAC | 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| Canonical Smiles | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| Inchi | CWVRJTMFETXNAD-DUXPYHPUSA-N |
| PubChem ID | 5315832 |
| Smiles | O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O |
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| Class | Cinnamic acids and derivatives |
| Super Class | Phenylpropanoids (C6-C3) |
| Pathways | Shikimates and Phenylpropanoids |
