Details of Cnidioside A
| IUPAC | 3-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]propanoic acid |
| Canonical Smiles | C1=COC2=CC(=C(C=C21)CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| Inchi | OHMWGMHIZWOKHV-USACIQFYSA-N |
| PubChem ID | 21592256 |
| Smiles | O=C(O)CCc1cc2ccoc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
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| Class | Simple coumarins |
| Super Class | Coumarins |
| Pathways | Shikimates and Phenylpropanoids |
