|
Compound Information
|
| ID |
97 |
| TrivialName |
malonylnotoginsenoside Ra1 |
| Type |
PPD |
| MF |
C₄₉H₈₀O₁₉ |
| MolecularWeight |
973.16 |
| IUPACName |
NT |
| m/z |
NT |
| Retention Time |
NT |
| CCS |
NT |
| Adducts |
NT |
| Isomeric SMILES |
CC1(C)[C@@H](OC(CC(O)=O)=O)CC[C@@]2(C)C1CC[C@]3(C)C2C[C@@H](O)C4[C@@]3(C)CCC4[C@@](CC/C=C(C)/C)(C)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)CO7)CO6)O5 |
| 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(OC(=O)CC(=O)O)C(C)(C)C3CCC12C |
| Source |
PN |
| Functions |
NT |
| Year |
2021 |
| References |
Qu et al. (2021)
|
| Structure |
|
