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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| clavulanic acid | 1 | 0.66 | 0.48 | 0.7 | 1.0 | Non detected. | MIBiG | Source | O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21 | view | clavulanic acid | ||
| isopenicillin N | 2 | 0.63 | 0.46 | 0.67 | 1.0 | Non detected. | 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 | ||
| itaconic acid | 0 | 0.66 | 0.49 | 0.71 | 1.0 | Non detected. | MIBiG | Source | C=C(CC(=O)O)C(=O)O | view | itaconic acid | ||
| methylenomycin | 3 | 0.63 | 0.51 | 0.62 | 1.0 | Non detected. | MIBiG | Source | C=C1C(=O)C2(C)OC2(C)C1C(=O)O | view | methylenomycin | ||
| tabtoxin | 4 | 0.62 | 0.47 | 0.64 | 1.0 | Non detected. | MIBiG | Source | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC[C@]1(O)CNC1=O)C(=O)O | view | tabtoxin |