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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| nemadectin | 0 | 0.65 | 0.52 | 0.74 | 0.67 | 6-Ring:2/3 * 5-Ring:1/3 | MIBiG | Source | CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4\CO[C@H]([C@@H]1O)[C@@]42O)OC1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 | view | nemadectin | ||
| menaquinone | 1 | 0.54 | 0.53 | 0.68 | 0.0 | 6-Ring:0/3 * 5-Ring:0/3 | MIBiG | Source | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O | view | menaquinone | ||
| phenalamide | 2 | 0.53 | 0.54 | 0.66 | 0.0 | 6-Ring:0/3 * 5-Ring:0/3 | MIBiG | Source | CC(/C=C/C=C/C=C/C=C(\C)C(=O)NC(C)CO)=C\C(C)C(O)/C(C)=C/C(C)CCc1ccccc1 | view | phenalamide | ||
| Thalianol | 3 | 0.52 | 0.51 | 0.65 | 0.0 | 6-Ring:0/3 * 5-Ring:0/3 | MIBiG | Source | CC(C)=CCC/C(C)=C/CC[C@@H](C)[C@@]1(C)CCC2=C1CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C | view | Thalianol | ||
| Marneral | 4 | 0.48 | 0.52 | 0.56 | 0.0 | 6-Ring:0/3 * 5-Ring:0/3 | MIBiG | Source | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@H](CCC=O)C(=C(C)C)CC[C@H]1C | view | Marneral |