Cluster scaffolds:
2 |
1 |
3 |
Putative metabolites:
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| menaquinone | 0 | 0.53 | 0.5 | 0.69 | 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 | 1 | 0.5 | 0.5 | 0.62 | 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 | ||
| beauvericin | 2 | 0.42 | 0.48 | 0.49 | 0.0 | 6-Ring:0/3 * 5-Ring:0/3 | MIBiG | Source | CC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O | view | beauvericin | ||
| Desmethylsalinamide C | 3 | 0.38 | 0.49 | 0.4 | 0.0 | 6-Ring:0/3 * 5-Ring:0/3 | MIBiG | Source | C/C=C(C)/C=C/C(=O)NCC(=O)OC[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)C(C)C)[C@@H](C)OC1=O | view | Desmethylsalinamide C | ||
| aureobasidin A1 | 4 | 0.37 | 0.48 | 0.38 | 0.0 | 6-Ring:0/3 * 5-Ring:0/3 | MIBiG | Source | CC[C@@H](C)[C@@H]1OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C1=O | view | aureobasidin A1 |