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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| clavulanic acid | 0 | 0.67 | 0.41 | 0.79 | 1.0 | Non detected. | MIBiG | Source | O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21 | view | clavulanic acid | ||
| tabtoxin | 1 | 0.63 | 0.41 | 0.71 | 1.0 | Non detected. | MIBiG | Source | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC[C@]1(O)CNC1=O)C(=O)O | view | tabtoxin | ||
| 2-amino-4-methoxy-trans-3-butenoic acid | 2 | 0.6 | 0.4 | 0.65 | 1.0 | Non detected. | MIBiG | Source | CO/C=C/[C@H](N)C(=O)O | view | 2-amino-4-methoxy-trans-3-butenoic acid | ||
| citrulline | 3 | 0.57 | 0.43 | 0.56 | 1.0 | Non detected. | MIBiG | Source | NC(=O)NCCC[C@H](N)C(=O)O | view | citrulline | ||
| itaconic acid | 4 | 0.54 | 0.47 | 0.47 | 1.0 | Non detected. | MIBiG | Source | C=C(CC(=O)O)C(=O)O | view | itaconic acid |