Details of Ligustaloside B
| IUPAC | methyl (4R,6S)-6-[2-[2-(4-hydroxyphenyl)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)CC=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| Inchi | JNXGQXOXYBQOBB-AHCRIMDASA-N |
| PubChem ID | 100942528 |
| 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)cc1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC%28%3DO%29C1%3DCC%5BC%40%40H%5D%28O%5BC%40%40H%5D2O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D2O%29C%28CC%3DO%29%5BC%40%40H%5D1CC%28%3DO%29OCCc1ccc%28O%29cc1/file?format=sdf&get3d=True -- COC%28%3DO%29C1%3DCC%5BC%40%40H%5D%28O%5BC%40%40H%5D2O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D2O%29C%28CC%3DO%29%5BC%40%40H%5D1CC%28%3DO%29OCCc1ccc%28O%29cc1 could not be loaded.
| Class | Secoiridoid monoterpenoids |
| Super Class | Monoterpenoids |
| Pathways | Terpenoids |