Details of MIMONOSIDE B
| IUPAC | 10-[3-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(3,4,5-trihydroxyoxan-2-yl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical Smiles | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)OC4C(C(C(OC4OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CCC9(C8CC(CC9)(C)C)C(=O)O)C)C)C)CO)OC1C(C(C(CO1)O)O)O)O)C1C(C(C(CO1)O)O)O)O)CO)O)O)O)O)O |
| Inchi | WXICVNMUAGRJND-UHFFFAOYSA-N |
| PubChem ID | 164387 |
| Smiles | CC1OC(OC2C(OC3C(O)C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C)CCC8(C(=O)O)CCC67C)C5(C)C)OC(CO)C(OC5OCC(O)C(O)C5O)C4O)OC(C4OCC(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1OC%28OC2C%28OC3C%28O%29C%28OC4C%28OC5CCC6%28C%29C%28CCC7%28C%29C6CC%3DC6C8CC%28C%29%28C%29CCC8%28C%28%3DO%29O%29CCC67C%29C5%28C%29C%29OC%28CO%29C%28OC5OCC%28O%29C%28O%29C5O%29C4O%29OC%28C4OCC%28O%29C%28O%29C4O%29C3O%29OC%28CO%29C%28O%29C2O%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- CC1OC%28OC2C%28OC3C%28O%29C%28OC4C%28OC5CCC6%28C%29C%28CCC7%28C%29C6CC%3DC6C8CC%28C%29%28C%29CCC8%28C%28%3DO%29O%29CCC67C%29C5%28C%29C%29OC%28CO%29C%28OC5OCC%28O%29C%28O%29C5O%29C4O%29OC%28C4OCC%28O%29C%28O%29C4O%29C3O%29OC%28CO%29C%28O%29C2O%29C%28O%29C%28O%29C1O could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |