Cluster scaffolds:
2 |
1 |
Putative metabolites:
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cyclotine | 4 | 0.57 | 0.56 | 0.72 | 0.0 | Cl:0/1 | MIBiG | Source | CC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O | view | Cyclotine | ||
| Cyclochlorotine B | 0 | 0.69 | 0.55 | 0.71 | 1.0 | Cl:1/1 | MIBiG | Source | CC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)CCN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O | view | Cyclochlorotine B | ||
| Sevadicin | 1 | 0.62 | 0.6 | 0.8 | 0.0 | Cl:0/1 | MIBiG | Source | CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O | view | Sevadicin | ||
| vanchrobactin | 2 | 0.6 | 0.55 | 0.79 | 0.0 | Cl:0/1 | MIBiG | Source | NC(N)=NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(=O)O | view | vanchrobactin | ||
| Benzylpenicillin | 3 | 0.58 | 0.55 | 0.74 | 0.0 | Cl:0/1 | MIBiG | Source | CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+] | view | Benzylpenicillin |