|
Compound Information
|
| ID |
684 |
| TrivialName |
Malonyl-notoginsenoside Q |
| Type |
PPD |
| MF |
C₆₆H₁₀₈O₃₃ |
| MolecularWeight |
1429.557 |
| IUPACName |
NT |
| m/z |
NT |
| Retention Time |
NT |
| CCS |
NT |
| Adducts |
NT |
| Isomeric SMILES |
O[C@H]1C2[C@](CCC2[C@@](CC/C=C(C)/C)(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]5[C@@H](O)[C@H](O)[C@@H](O)CO5)CO4)O3)C)(C)[C@]6(C)CCC7C(C)(C)[C@@H](O[C@@H]8[C@@H](O[C@@H]9[C@@H](O[C@@H]%10[C@H](O)[C@@H](O)[C@H](O)CO%10)[C@H](O)[C@@H](O)[C@H](COC(CC(O)=O)=O)O9)[C@H](O)[C@@H](O)[C@H](CO)O8)CC[C@]7(C)C6C1 |
| Canonical SMILES |
CC(C)=CCCC(C)(OC1OC(COC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source |
PN |
| Functions |
NT |
| Year |
2018 |
| References |
Liu et al. (2018)
|
| Structure |
|
