Details of Unii-CQ2F5O6yiy
| IUPAC | [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate |
| Canonical Smiles | CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O |
| Inchi | BNMGUJRJUUDLHW-HCZMHFOYSA-N |
| PubChem ID | 24825675 |
| Smiles | CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1CCC2%28C%28%3DO%29OC3OC%28COC4OC%28CO%29C%28OC5OC%28C%29C%28O%29C%28O%29C5O%29C%28O%29C4O%29C%28O%29C%28O%29C3O%29CCC3%28C%29C%28%3DCCC4C5%28C%29CC%28O%29C%28O%29C%28C%29%28CO%29C5C%28O%29CC43C%29C2C1C/file?format=sdf&get3d=True -- CC1CCC2%28C%28%3DO%29OC3OC%28COC4OC%28CO%29C%28OC5OC%28C%29C%28O%29C%28O%29C5O%29C%28O%29C4O%29C%28O%29C%28O%29C3O%29CCC3%28C%29C%28%3DCCC4C5%28C%29CC%28O%29C%28O%29C%28C%29%28CO%29C5C%28O%29CC43C%29C2C1C could not be loaded.
| Class | Ursane and Taraxastane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |