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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ebelactone | 0 | 0.62 | 0.57 | 0.81 | 0.0 | Glyco:0/2 | MIBiG | Source | CC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@H](C)[C@@H]1OC(=O)[C@H]1C | view | ebelactone | ||
| betaenone C | 1 | 0.57 | 0.53 | 0.75 | 0.0 | Glyco:0/2 | MIBiG | Source | CCC(C)C1C(C)(O)C(=O)C2CC(C)(O)CC(C)C2C1(C)C(=O)/C=C\O | view | betaenone C | ||
| E-837 | 2 | 0.57 | 0.54 | 0.74 | 0.0 | Glyco:0/2 | MIBiG | Source | C/C=C(\C)C(O)C(C)/C=C/C=C(\C)CCC(O)CC1=C(C)C(=O)C(C)(O)O1 | view | E-837 | ||
| Aurafuron A | 3 | 0.54 | 0.56 | 0.65 | 0.0 | Glyco:0/2 | MIBiG | Source | CC1=C(CC(O)/C=C\C=C\C(C)C(O)/C(C)=C/CC(C)C)OC(C)(O)C1=O | view | Aurafuron A | ||
| botcinic acid | 4 | 0.5 | 0.59 | 0.56 | 0.0 | Glyco:0/2 | MIBiG | Source | CCCC[C@H](O)/C=C/C(=O)O[C@H]1[C@H](C)O[C@](C)([C@@H](O)[C@@H](C)C(=O)O)[C@@H](O)[C@@H]1C | view | botcinic acid |