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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| amychelin | 0 | 0.58 | 0.61 | 0.71 | 0.0 | Glyco:0/2 | MIBiG | Source | CC(O)[C@@H](NC(=O)C[C@@H](O)C[C@@H](O)[C@@H](CO)NC(=O)c1ccccc1O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H]1Cc2cc(O)c(O)cc2[N+](C)(C)C1 | view | amychelin | ||
| heterobactin A | 1 | 0.57 | 0.52 | 0.76 | 0.0 | Glyco:0/2 | MIBiG | Source | N/C(=N\C(=O)c1cccc(O)c1O)NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)NCC(=O)N[C@H]1CCCN(O)C1=O | view | heterobactin A | ||
| heterobactin S2 | 2 | 0.55 | 0.52 | 0.72 | 0.0 | Glyco:0/2 | MIBiG | Source | N/C(=N\C(=O)c1cccc(O)c1O)NCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)O)c(O)c1O)C(=O)NCC(=O)N[C@H]1CCCN(O)C1=O | view | heterobactin S2 | ||
| Desmethylsalinamide E | 3 | 0.54 | 0.53 | 0.69 | 0.0 | Glyco:0/2 | MIBiG | Source | CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)C(C)C)[C@@H](C)OC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](c2ccc(O)cc2)NC1=O | view | Desmethylsalinamide E | ||
| cahuitamycin B | 4 | 0.54 | 0.53 | 0.69 | 0.0 | Glyco:0/2 | MIBiG | Source | O=CN(O)CCC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)c1ccccc1O)C(=O)N1NCCC[C@@H]1C(=O)NCCC(=O)O | view | cahuitamycin B |