Cluster scaffolds:
1 |
2 |
Putative metabolites:
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cyclotine | 0 | 0.74 | 0.54 | 0.82 | 1.0 | Non detected. | 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 | ||
| Deoxy-Cyclochlorotine | 1 | 0.74 | 0.55 | 0.81 | 1.0 | Non detected. | MIBiG | Source | CC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](C)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O | view | Deoxy-Cyclochlorotine | ||
| ustiloxin B | 2 | 0.74 | 0.61 | 0.77 | 1.0 | Non detected. | MIBiG | Source | CC[C@@]1(C)Oc2cc(c([S@](=O)C[C@@H](O)C[C@H](N)C(=O)O)cc2O)[C@@H](O)[C@H](NC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)NCC(=O)O | view | ustiloxin B | ||
| Hydroxy-cyclochlorotine | 3 | 0.71 | 0.57 | 0.74 | 1.0 | Non detected. | MIBiG | Source | CC(C)[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O | view | Hydroxy-cyclochlorotine | ||
| Benzylpenicillin | 4 | 0.65 | 0.55 | 0.64 | 1.0 | Non detected. | MIBiG | Source | CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+] | view | Benzylpenicillin |