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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| pristinamycin | 4 | 0.32 | 0.47 | 0.29 | 0.0 | 6-Ring:0/1 | MIBiG | Source | C/C1=C/[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)/C=C\C(=O)NC\C=C/1.CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C2CCCN2C1=O | view | pristinamycin | ||
| thailandamide B | 0 | 0.44 | 0.49 | 0.52 | 0.0 | 6-Ring:0/1 | MIBiG | Source | CO[C@H](/C(C)=C/C=C/C=C(C)/C=C/C[C@H](O)CC(=O)/C=C\C=C(C)\C=C\[C@@H](C)NC(=O)[C@H](C)C/C=C/C[C@@H](O)Cc1ccc(O)cc1)[C@@H](C)C(=O)O | view | thailandamide B | ||
| thailandamide A | 1 | 0.44 | 0.49 | 0.52 | 0.0 | 6-Ring:0/1 | MIBiG | Source | CO[C@H](/C(C)=C/C=C/C=C(C)/C=C/C[C@H](O)CC(=O)/C=C/C=C(C)/C=C/[C@@H](C)NC(=O)[C@H](C)C/C=C/C[C@@H](O)Cc1ccc(O)cc1)[C@@H](C)C(=O)O | view | thailandamide A | ||
| bacillaene | 2 | 0.43 | 0.49 | 0.49 | 0.0 | 6-Ring:0/1 | MIBiG | Source | C/C(=C/C=C/C=C/C(C)C(=O)O)NC(=O)CC(O)/C(C)=C\C=C/C=C(C)/C=C/C=C\CCCNC(=O)C(O)CC(C)C | view | bacillaene | ||
| thailandamide lactone | 3 | 0.41 | 0.47 | 0.46 | 0.0 | 6-Ring:0/1 | MIBiG | Source | CO[C@H]1[C@@H](C)C(=O)O[C@@]1(C)/C=C/C=C/C(C)=C/C=C/C(O)=C/C(=O)/C=C/C=C(C)/C=C/[C@@H](C)NC(=O)[C@H](C)C/C=C/C[C@@H](O)Cc1ccc(O)cc1 | view | thailandamide lactone |