Details of Nemoroside
| IUPAC | [(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate |
| Canonical Smiles | C/C(=CCO)/CC/C=C(C)/C(=O)O[C@H]1[C@@H]2C=CO[C@H]([C@@H]2[C@@]3([C@H]1O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| Inchi | IAGZLJOLJLDXTL-NLXSLLBDSA-N |
| PubChem ID | 6440776 |
| Smiles | C/C(=CCO)CC=CC(C)C(=O)O[C@@H]1[C@@H]2O[C@]2(CO)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@H]12 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C/C%28%3DCCO%29CC%3DCC%28C%29C%28%3DO%29O%5BC%40%40H%5D1%5BC%40%40H%5D2O%5BC%40%5D2%28CO%29%5BC%40H%5D2%5BC%40H%5D%28O%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29OC%3DC%5BC%40%40H%5D12/file?format=sdf&get3d=True -- C/C%28%3DCCO%29CC%3DCC%28C%29C%28%3DO%29O%5BC%40%40H%5D1%5BC%40%40H%5D2O%5BC%40%5D2%28CO%29%5BC%40H%5D2%5BC%40H%5D%28O%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29OC%3DC%5BC%40%40H%5D12 could not be loaded.
| Class | Iridoids monoterpenoids |
| Super Class | Monoterpenoids |
| Pathways | Terpenoids |