Cluster scaffolds:
3 |
1 |
2 |
Putative metabolites:
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Benzylpenicillin | 0 | 0.64 | 0.58 | 0.85 | 0.0 | Glyco:0/3 | MIBiG | Source | CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+] | view | Benzylpenicillin | ||
| Xenortide C | 1 | 0.58 | 0.53 | 0.77 | 0.0 | Glyco:0/3 | MIBiG | Source | CN[C@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C(C)C | view | Xenortide C | ||
| Xenortide A | 2 | 0.57 | 0.51 | 0.76 | 0.0 | Glyco:0/3 | MIBiG | Source | CN[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 | view | Xenortide A | ||
| haliamide | 3 | 0.5 | 0.53 | 0.61 | 0.0 | Glyco:0/3 | MIBiG | Source | C=CC(C)C/C(C)=C/C=C/C(C)NC(=O)c1ccccc1 | view | haliamide | ||
| azaspirene | 4 | 0.5 | 0.52 | 0.61 | 0.0 | Glyco:0/3 | MIBiG | Source | CC/C=C/C=C/C1=C(C)C(=O)C2(O1)C(=O)N[C@@](O)(Cc1ccccc1)[C@@H]2O | view | azaspirene |