Details of Jasmesoside
| IUPAC | methyl (4S,5Z,6S)-5-ethylidene-4-[2-[[(1S,2R,3R,5S)-3-hydroxy-5-(1-hydroxypropan-2-yl)-2-methylcyclopentyl]methoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate |
| Canonical Smiles | C/C=C1/[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OC[C@@H]3[C@H]([C@@H](C[C@H]3C(C)CO)O)C |
| Inchi | XNIRCYGLGZSLPW-GENWCYJKSA-N |
| PubChem ID | 101936077 |
| Smiles | C/C=C1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC[C@H]1[C@H](C(C)CO)C[C@@H](O)[C@@H]1C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C/C%3DC1%5BC%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%29OC%3DC%28C%28%3DO%29OC%29%5BC%40H%5D1CC%28%3DO%29OC%5BC%40H%5D1%5BC%40H%5D%28C%28C%29CO%29C%5BC%40%40H%5D%28O%29%5BC%40%40H%5D1C/file?format=sdf&get3d=True -- C/C%3DC1%5BC%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%29OC%3DC%28C%28%3DO%29OC%29%5BC%40H%5D1CC%28%3DO%29OC%5BC%40H%5D1%5BC%40H%5D%28C%28C%29CO%29C%5BC%40%40H%5D%28O%29%5BC%40%40H%5D1C could not be loaded.
| Class | Secoiridoid monoterpenoids |
| Super Class | Monoterpenoids |
| Pathways | Terpenoids |