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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| bongkrekic acid | 0 | 0.69 | 0.57 | 0.7 | 1.0 | Non detected. | MIBiG | Source | COC(C/C=C\C=C\CC/C=C/CC(C)/C=C/C(=C\C(=O)O)CC(=O)O)/C(C)=C\C=C(/C)C(=O)O | view | bongkrekic acid | ||
| phenalamide | 1 | 0.68 | 0.62 | 0.65 | 1.0 | Non detected. | 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 | ||
| thailandamide B | 2 | 0.67 | 0.53 | 0.7 | 1.0 | Non detected. | MIBiG | Source | CO[C@H](/C(C)=C/C=C/C=C(C)/C=C/C[C@H](O)CC(=O)/C=C\C=C(C)\C=C\[C@@H](C)NC(=O)[C@H](C)C/C=C/C[C@@H](O)Cc1ccc(O)cc1)[C@@H](C)C(=O)O | view | thailandamide B | ||
| andrimid | 3 | 0.59 | 0.54 | 0.53 | 1.0 | Non detected. | MIBiG | Source | C/C=C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@H](C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C)C(C)C)c1ccccc1 | view | andrimid | ||
| isobongkrekic acid | 4 | 0.58 | 0.55 | 0.5 | 1.0 | Non detected. | MIBiG | Source | CO[C@H](C/C=C\C=C\CC/C=C/C[C@H](C)/C=C/C(=C/C(=O)O)CC(=O)O)/C(C)=C\C=C(C)C | view | isobongkrekic acid |