Details of Ligustaloside A
| IUPAC | methyl (4R,6S)-6-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-(2-oxoethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate |
| Canonical Smiles | COC(=O)C1=CC[C@H](C([C@@H]1CC(=O)OCCC2=CC(=C(C=C2)O)O)CC=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| Inchi | BHDCPTKAOOHIQD-NRPDVTHNSA-N |
| PubChem ID | 100942527 |
| Smiles | COC(=O)C1=CC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CC=O)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1 |
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| Class | Secoiridoid monoterpenoids |
| Super Class | Monoterpenoids |
| Pathways | Terpenoids |