| 名称 | 内容 |
|---|---|
| kegg编号 | C09085 |
| pubchemid | 11277 |
| name | Calebassone |
| formula | C40H48N4O2 |
| structure |  |
| Isomeric_Smiles | C1=CC=C2C(=C1)C=CC(=C2O)S(=O)(=O)O |
| Cannoical_Smiles | C1=CC=C2C(=C1)C=CC(=C2O)S(=O)(=O)O |
| Gotenzyme_Smiles | C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N5[C@H]6[C@@H]([C@@H]([C@H]1C[C@@H]32)[C@]54O)N1c2ccccc2[C@]23CC[N@@+]4(C)C/C(=C/C)[C@H](C[C@@H]24)[C@H]6[C@]13O |
