Details of MIMONOSIDE A
| IUPAC | (3,4,5-trihydroxy-6-methyloxan-2-yl) 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-carboxylate |
| 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)OC1C(C(C(C(O1)C)O)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 | WJARUDQQRKPGCR-UHFFFAOYSA-N |
| PubChem ID | 164386 |
| Smiles | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C7OCC(O)C(O)C7O)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(O)C1O |
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| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |
