Cluster scaffolds:
1 |
Putative metabolites:
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 6-methylsalicyclic acid | 0 | 0.57 | 0.45 | 0.81 | 0.0 | Glyco:0/2 | MIBiG | Source | Cc1cccc(O)c1C(=O)O | view | 6-methylsalicyclic acid | ||
| ochratoxin A | 1 | 0.5 | 0.45 | 0.66 | 0.0 | Glyco:0/2 | 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 | ||
| Sevadicin | 2 | 0.47 | 0.47 | 0.59 | 0.0 | Glyco:0/2 | MIBiG | Source | CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O | view | Sevadicin | ||
| AK-toxin | 3 | 0.45 | 0.45 | 0.57 | 0.0 | Glyco:0/2 | 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 | ||
| Benzylpenicillin | 4 | 0.44 | 0.48 | 0.51 | 0.0 | Glyco:0/2 | MIBiG | Source | CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+] | view | Benzylpenicillin |