Cluster scaffolds:
1 |
2 |
Putative metabolites:
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| cyclosporin | 0 | 0.46 | 0.58 | 0.48 | 0.0 | Glyco:0/3 * 6-Ring:0/1 * 5-Ring:0/1 | MIBiG | Source | C/C=C/C[C@@H](C)[C@@H](O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C | view | cyclosporin | ||
| leucinostatin B | 1 | 0.43 | 0.5 | 0.48 | 0.0 | Glyco:0/3 * 6-Ring:0/1 * 5-Ring:0/1 | MIBiG | Source | CCC(=O)CC(O)CC(C)CC(NC(=O)C1CC(C)CN1C(=O)/C=C/C(C)CC)C(=O)NC(C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CNC)C(O)C(C)C | view | leucinostatin B | ||
| puwainaphycin B | 2 | 0.42 | 0.5 | 0.47 | 0.0 | Glyco:0/3 * 6-Ring:0/1 * 5-Ring:0/1 | MIBiG | Source | C/C=C1/NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCC(=O)CCCC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@H](C)OC)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](C)O)NC1=O | view | puwainaphycin B | ||
| puwainaphycin A | 3 | 0.42 | 0.5 | 0.47 | 0.0 | Glyco:0/3 * 6-Ring:0/1 * 5-Ring:0/1 | MIBiG | Source | C/C=C1/NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCC(=O)CCCC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@H](C)OC)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H]([C@H](C)O)NC1=O | view | puwainaphycin A | ||
| leucinostatin A | 4 | 0.42 | 0.5 | 0.47 | 0.0 | Glyco:0/3 * 6-Ring:0/1 * 5-Ring:0/1 | MIBiG | Source | CCC(=O)CC(O)CC(C)CC(NC(=O)C1CC(C)CN1C(=O)/C=C/C(C)CC)C(=O)NC(C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C)C(O)C(C)C | view | leucinostatin A |