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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| itaconic acid | 0 | 0.56 | 0.5 | 0.75 | 0.0 | Cl:0/1 | MIBiG | Source | C=C(CC(=O)O)C(=O)O | view | itaconic acid | ||
| methylenomycin | 1 | 0.55 | 0.53 | 0.7 | 0.0 | Cl:0/1 | MIBiG | Source | C=C1C(=O)C2(C)OC2(C)C1C(=O)O | view | methylenomycin | ||
| 2-amino-4-methoxy-trans-3-butenoic acid | 2 | 0.51 | 0.46 | 0.67 | 0.0 | Cl:0/1 | MIBiG | Source | CO/C=C/[C@H](N)C(=O)O | view | 2-amino-4-methoxy-trans-3-butenoic acid | ||
| ectoine | 3 | 0.48 | 0.45 | 0.63 | 0.0 | Cl:0/1 | MIBiG | Source | CC1=NCC[C@@H](C(=O)O)N1 | view | ectoine | ||
| clavulanic acid | 4 | 0.42 | 0.38 | 0.56 | 0.0 | Cl:0/1 | MIBiG | Source | O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21 | view | clavulanic acid |