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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| vanchrobactin | 0 | 0.58 | 0.6 | 0.71 | 0.0 | Cl:0/1 | MIBiG | Source | NC(N)=NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(=O)O | view | vanchrobactin | ||
| heterobactin A | 1 | 0.54 | 0.55 | 0.66 | 0.0 | Cl:0/1 | 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 | ||
| Obafluorin | 2 | 0.54 | 0.57 | 0.65 | 0.0 | Cl:0/1 | MIBiG | Source | O=C(N[C@@H]1C(=O)O[C@@H]1Cc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1O | view | Obafluorin | ||
| heterobactin S2 | 3 | 0.53 | 0.55 | 0.64 | 0.0 | Cl:0/1 | 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 | ||
| myxochelin A | 4 | 0.51 | 0.56 | 0.6 | 0.0 | Cl:0/1 | MIBiG | Source | O=C(NCCCC[C@@H](CO)NC(=O)c1cccc(O)c1O)c1cccc(O)c1O | view | myxochelin A |