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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| macrolactin 1a | 0 | 0.63 | 0.65 | 0.78 | 0.0 | Glyco:0/3 | MIBiG | Source | C[C@@H]1CCC/C=C\C=C/[C@@H](O)C[C@@H](O)C/C=C\C=C/[C@H](O)C/C=C\C=C/C(=O)O1 | view | macrolactin 1a | ||
| macrolactin 1b | 1 | 0.62 | 0.62 | 0.65 | 0.5 | Glyco:1/3 | MIBiG | Source | C[C@@H]1CCC/C=C\C=C/[C@H](O)C[C@@H](O)C/C=C\C=C/[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C/C=C\C=C/C(=O)O1 | view | macrolactin 1b | ||
| macrolactin 1c | 2 | 0.62 | 0.61 | 0.65 | 0.5 | Glyco:1/3 | MIBiG | Source | CC1CCC/C=C\C=C/C(OC2OC(CO)C(O)C(O)C2O)CC(O)C/C=C\C=C/C(O)C/C=C\C=C/C(=O)O1 | view | macrolactin 1c | ||
| macrolactin 3a | 3 | 0.6 | 0.58 | 0.76 | 0.0 | Glyco:0/3 | MIBiG | Source | C[C@@H]1CCC/C=C\C=C/C(=O)C[C@@H](O)C/C=C\C=C/[C@@H](O)C/C=C\C=C/C(=O)O1 | view | macrolactin 3a | ||
| Etnangien | 4 | 0.53 | 0.59 | 0.61 | 0.0 | Glyco:0/3 | 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 |