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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| isopenicillin N | 0 | 0.48 | 0.52 | 0.58 | 0.0 | Glyco:0/3 | MIBiG | Source | CC1(C)S[C@@H]2[C@H](NC(=O)CCC[C@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O | view | isopenicillin N | ||
| clavulanic acid | 1 | 0.47 | 0.44 | 0.61 | 0.0 | Glyco:0/3 | MIBiG | Source | O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21 | view | clavulanic acid | ||
| methylenomycin | 2 | 0.45 | 0.48 | 0.54 | 0.0 | Glyco:0/3 | MIBiG | Source | C=C1C(=O)C2(C)OC2(C)C1C(=O)O | view | methylenomycin | ||
| valclavam | 3 | 0.44 | 0.47 | 0.52 | 0.0 | Glyco:0/3 | MIBiG | Source | CC(C)C(N)C(=O)NC(C(=O)O)C(O)CC1CN2C(=O)CC2O1 | view | valclavam | ||
| thienamycin | 4 | 0.43 | 0.44 | 0.53 | 0.0 | Glyco:0/3 | MIBiG | Source | C[C@@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(SCCN)C[C@H]12 | view | thienamycin |