| 名称 | 内容 |
|---|---|
| kegg编号 | C01661 |
| pubchemid | 4809 |
| name | Doxorubicin |
| formula | C27H29NO11 |
| structure |  |
| Isomeric_Smiles | CCC1C(C(=O)NC1=CC2=C(C(=C(N2)C=C3C(=C(C(=CC4=NC(=O)C(=C4C)CC)N3)C)CCC(=O)O)CCC(=O)O)C)C |
| Cannoical_Smiles | CCC1C(C(=O)NC1=CC2=C(C(=C(N2)C=C3C(=C(C(=CC4=NC(=O)C(=C4C)CC)N3)C)CCC(=O)O)CCC(=O)O)C)C |
| Gotenzyme_Smiles | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 |
