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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| oligomycin | 0 | 0.63 | 0.53 | 0.74 | 0.5 | 6-Ring:2/3 * 5-Ring:0/3 | MIBiG | Source | CC[C@@H]1/C=C\C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C\C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C | view | oligomycin | ||
| meridamycin | 1 | 0.62 | 0.57 | 0.75 | 0.29 | 6-Ring:1/3 * 5-Ring:0/3 | MIBiG | Source | CC/C1=C/C[C@@H](/C(C)=C/[C@@H](C)[C@@H](C)O)OC(=O)C2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](O)[C@H](C)[C@@H](O)C[C@@H](O)C[C@H](O)/C(C)=C\[C@@H](C)CC(C)[C@@H]1O | view | meridamycin | ||
| halstoctacosanolide | 2 | 0.58 | 0.56 | 0.67 | 0.29 | 6-Ring:1/3 * 5-Ring:0/3 | MIBiG | Source | CCC(O)C(C)C(O)CC(O)C(O)/C=C(\C)CC(C)C1CC(O)C(C)/C=C\C=C/CC(C)C(=O)CC2CCC(C)C(O)(C/C=C(C)\C=C(\C)C(O)C(=O)/C=C(/C)C(=O)O1)O2 | view | halstoctacosanolide | ||
| macrobrevin | 3 | 0.52 | 0.54 | 0.63 | 0.0 | 6-Ring:0/3 * 5-Ring:0/3 | MIBiG | Source | CCC(C)C(O)/C=C/C(C)=C/C=C/C(C)CC(C)C1CC(O)C(C)/C=C\C=C/C(C)C/C=C(/C)C(O)/C=C\CC(O)C(C)/C=C\C(=O)O1 | view | macrobrevin | ||
| mycolactone | 4 | 0.47 | 0.55 | 0.53 | 0.0 | 6-Ring:0/3 * 5-Ring:0/3 | MIBiG | Source | C/C1=C/C[C@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)OC(=O)CCC[C@H](OC(=O)/C=C/C(C)=C/C(C)=C/C=C/C(C)=C/[C@H](O)[C@@H](O)C[C@H](C)O)[C@@H](C)C1 | view | mycolactone |