| 名称 | 内容 |
|---|---|
| kegg编号 | C08524 |
| pubchemid | 10717 |
| name | Cavinine |
| formula | C18H21NO6 |
| structure |  |
| Isomeric_Smiles | C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)[O-])O.C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)[O-])O.[Ca+2] |
| Cannoical_Smiles | C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)[O-])O.C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)[O-])O.[Ca+2] |
| Gotenzyme_Smiles | COc1c2c(cc3c1OCO3)[C@@]13[C@H](O)C[N@@](C2)[C@@H]1C[C@@H](OC)[C@@H]1O[C@@H]13 |
