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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| halstoctacosanolide | 0 | 0.58 | 0.52 | 0.71 | 0.22 | Glyco:0/1 * 6-Ring:1/3 * Sphingo:0/1 * 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 | ||
| menaquinone | 1 | 0.56 | 0.54 | 0.71 | 0.0 | Glyco:0/1 * 6-Ring:0/3 * Sphingo:0/1 * 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 | 2 | 0.54 | 0.52 | 0.7 | 0.0 | Glyco:0/1 * 6-Ring:0/3 * Sphingo:0/1 * 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 | ||
| macrobrevin | 3 | 0.54 | 0.52 | 0.68 | 0.0 | Glyco:0/1 * 6-Ring:0/3 * Sphingo:0/1 * 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 | 0.53 | 0.55 | 0.64 | 0.0 | Glyco:0/1 * 6-Ring:0/3 * Sphingo:0/1 * 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 |