Cluster scaffolds:
3 |
1 |
2 |
Putative metabolites:
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Xenortide A | 1 | 0.47 | 0.51 | 0.56 | 0.0 | Glyco:0/2 * Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | CN[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 | view | Xenortide A | ||
| Xenortide C | 2 | 0.46 | 0.5 | 0.54 | 0.0 | Glyco:0/2 * Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | CN[C@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C(C)C | view | Xenortide C | ||
| Xenortide B | 3 | 0.44 | 0.47 | 0.52 | 0.0 | Glyco:0/2 * Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | CN[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 | view | Xenortide B | ||
| pacidamycin 5 | 4 | 0.43 | 0.47 | 0.43 | 0.33 | Glyco:0/2 * Sphingo:0/2 * 5-Ring:1/1 | MIBiG | Source | C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](C(=O)N/C=C1/C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1)[C@H](C)N(C)C(=O)[C@@H](N)Cc1cccc(O)c1 | view | pacidamycin 5 | ||
| gaudimycin D | 0 | 0.53 | 0.5 | 0.61 | 0.33 | Glyco:1/2 * Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | C[C@H]1O[C@@H](O[C@](C)(CC(=O)O)Cc2ccc3c(c2O)C(=O)c2cccc(O)c2C3=O)CC[C@@H]1N | view | gaudimycin D |