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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Obafluorin | 0 | 0.81 | 0.71 | 0.84 | 1.0 | Non detected. | MIBiG | Source | O=C(N[C@@H]1C(=O)O[C@@H]1Cc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1O | view | Obafluorin | ||
| ochratoxin A | 1 | 0.73 | 0.56 | 0.79 | 1.0 | Non detected. | 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 | ||
| myxochelin A | 2 | 0.7 | 0.64 | 0.67 | 1.0 | Non detected. | MIBiG | Source | O=C(NCCCC[C@@H](CO)NC(=O)c1cccc(O)c1O)c1cccc(O)c1O | view | myxochelin A | ||
| myxochelin B | 3 | 0.69 | 0.64 | 0.65 | 1.0 | Non detected. | MIBiG | Source | NC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O | view | myxochelin B | ||
| isopropylstilbene | 4 | 0.58 | 0.56 | 0.49 | 1.0 | Non detected. | MIBiG | Source | CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O | view | isopropylstilbene |