Cluster scaffolds:
2 |
1 |
Putative metabolites:
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| thailandamide B | 3 | 0.51 | 0.54 | 0.61 | 0.0 | Glyco:0/3 | 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 | ||
| thailandamide A | 4 | 0.51 | 0.54 | 0.61 | 0.0 | Glyco:0/3 | 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 A | ||
| JBIR-100 | 0 | 0.57 | 0.54 | 0.73 | 0.0 | Glyco:0/3 | MIBiG | Source | C/C1=C/C(C)C(O)C(C)C/C(C)=C\C=C/CC(C(C)C(O)C(C)C2(O)CC(OC(=O)/C=C/C(=O)O)C(C)C(C(C)C)O2)OC(=O)\C(C)=C/1 | view | JBIR-100 | ||
| Elansolid A1 | 1 | 0.53 | 0.54 | 0.66 | 0.0 | Glyco:0/3 | MIBiG | Source | COC(c1ccc(O)cc1)C1C(/C=C\C=C\C=C/C(O)C(C)C(O)C/C=C(C)/C=C/C(=O)O)C(C)=CC2C1C(C)(C)C[C@]2(C)O | view | Elansolid A1 | ||
| phenalamide | 2 | 0.53 | 0.58 | 0.62 | 0.0 | Glyco: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 |