Cluster scaffolds:
1 |
2 |
3 |
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 | 0.68 | 0.54 | 0.78 | 0.67 | Cl:1/2 | 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 | ||
| vanchrobactin | 1 | 0.55 | 0.55 | 0.68 | 0.0 | Cl:0/2 | MIBiG | Source | NC(N)=NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(=O)O | view | vanchrobactin | ||
| Obafluorin | 2 | 0.54 | 0.54 | 0.68 | 0.0 | Cl:0/2 | MIBiG | Source | O=C(N[C@@H]1C(=O)O[C@@H]1Cc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1O | view | Obafluorin | ||
| myxochelin B | 3 | 0.54 | 0.53 | 0.68 | 0.0 | Cl:0/2 | MIBiG | Source | NC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O | view | myxochelin B | ||
| nocardicin A | 4 | 0.54 | 0.55 | 0.66 | 0.0 | Cl:0/2 | MIBiG | Source | N[C@H](CCOc1ccc(/C(=N\O)C(=O)N[C@H]2CN([C@@H](C(=O)O)c3ccc(O)cc3)C2=O)cc1)C(=O)O | view | nocardicin A |