| Compound Information | |
|---|---|
| ID | 472 |
| TrivialName | notoginsenoside NL-B1 |
| Type | C17-side chain varied |
| MF | C₄₇H₈₀O₁₈ |
| MolecularWeight | 933.139 |
| IUPACName | NT |
| m/z | 977.5318 |
| Retention Time | 18.62 |
| CCS | 331.8 |
| Adducts | [M−H+HCOOH]− |
| Isomeric SMILES | CC1(C)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]3(C)C1CC[C@]4(C)C3C[C@@H](O)C5[C@@]4(C)CCC5[C@@](C/C=C/C(C)(O)C)(C)O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]7[C@H](O)[C@@H](O)[C@H](CO)O7)O6 |
| Canonical SMILES | CC(C)(O)C=CCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | PN |
| Functions | NT |
| Year | 2020 |
| References | |
| Structure |
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