Cluster scaffolds:
2 |
3 |
1 |
Putative metabolites:
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cinnabaramide | 2 | 0.51 | 0.52 | 0.63 | 0.0 | Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | CCCCCC[C@H]1C(=O)N[C@@]2([C@@H](O)[C@@H]3C=CCCC3)C(=O)O[C@@]12C | view | Cinnabaramide | ||
| botcinic acid | 3 | 0.5 | 0.56 | 0.57 | 0.0 | Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | CCCC[C@H](O)/C=C/C(=O)O[C@H]1[C@H](C)O[C@](C)([C@@H](O)[C@@H](C)C(=O)O)[C@@H](O)[C@@H]1C | view | botcinic acid | ||
| ebelactone | 0 | 0.56 | 0.53 | 0.72 | 0.0 | Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | CC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@H](C)[C@@H]1OC(=O)[C@H]1C | view | ebelactone | ||
| 9-methylstreptimidone | 1 | 0.54 | 0.54 | 0.67 | 0.0 | Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | C/C=C\C(C)=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 | view | 9-methylstreptimidone | ||
| AF-toxin | 4 | 0.48 | 0.53 | 0.57 | 0.0 | Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | CCC(C)C(OC(=O)C(O)C(C)(C)O)C(=O)OC(/C=C/C=C/C=C/C(=O)O)C1(C)CO1 | view | AF-toxin |