| 名称 | 内容 |
|---|---|
| kegg编号 | C10373 |
| pubchemid | 12559 |
| name | 5-O-Methylembelin |
| formula | C18H28O4 |
| structure |  |
| Isomeric_Smiles | CCCCCCCCCCCCCCCCCC(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O |
| Cannoical_Smiles | CCCCCCCCCCCCCCCCCC(=O)O.CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O |
| Gotenzyme_Smiles | CCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O |
