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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| halstoctacosanolide | 0 | 0.64 | 0.54 | 0.7 | 0.67 | 6-Ring:1/1 * 5-Ring:0/1 | MIBiG | Source | CCC(O)C(C)C(O)CC(O)C(O)/C=C(\C)CC(C)C1CC(O)C(C)/C=C\C=C/CC(C)C(=O)CC2CCC(C)C(O)(C/C=C(C)\C=C(\C)C(O)C(=O)/C=C(/C)C(=O)O1)O2 | view | halstoctacosanolide | ||
| nystatin A1 | 1 | 0.62 | 0.55 | 0.65 | 0.67 | 6-Ring:1/1 * 5-Ring:0/1 | MIBiG | Source | C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C\C=C/C=C\C=C/CC/C=C\C=C/[C@H](C)[C@@H](O)[C@H]1C)O2 | view | nystatin A1 | ||
| Spirangien A1 | 2 | 0.6 | 0.54 | 0.66 | 0.5 | 6-Ring:2/1 * 5-Ring:0/1 | MIBiG | Source | C/C=C(\C)C[C@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@]2(C[C@@H](OC)[C@H]1C)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C\C=C/C=C/C=C\[C@H](CC(=O)O)OC)[C@@H](C)C[C@@H]2O | view | Spirangien A1 | ||
| macrobrevin | 3 | 0.59 | 0.57 | 0.75 | 0.0 | 6-Ring:0/1 * 5-Ring:0/1 | MIBiG | Source | CCC(C)C(O)/C=C/C(C)=C/C=C/C(C)CC(C)C1CC(O)C(C)/C=C\C=C/C(C)C/C=C(/C)C(O)/C=C\CC(O)C(C)/C=C\C(=O)O1 | view | macrobrevin | ||
| Etnangien | 4 | 0.58 | 0.56 | 0.74 | 0.0 | 6-Ring:0/1 * 5-Ring:0/1 | MIBiG | Source | COC1C(C)C(O)CC(=O)OC(C(C)C(O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/CC(O)/C=C(\C)CCC(=O)O)CC(O)CCCC(O)C/C=C\C=C/CC(C)C(O)C1C | view | Etnangien |