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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ochratoxin A | 0 | 0.73 | 0.55 | 0.79 | 1.0 | Non detected. | MIBiG | Source | C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 | view | ochratoxin A | ||
| Benzylpenicillin | 1 | 0.7 | 0.51 | 0.76 | 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 | ||
| Sevadicin | 2 | 0.68 | 0.53 | 0.72 | 1.0 | Non detected. | MIBiG | Source | CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O | view | Sevadicin | ||
| AK-toxin | 3 | 0.65 | 0.45 | 0.72 | 1.0 | Non detected. | MIBiG | Source | CC(=O)NC(C(=O)OC(/C=C/C=C\C=C\C(=O)O)C1(C)CO1)C(C)c1ccccc1 | view | AK-toxin | ||
| vanchrobactin | 4 | 0.57 | 0.46 | 0.54 | 1.0 | Non detected. | MIBiG | Source | NC(N)=NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(=O)O | view | vanchrobactin |