Cluster scaffolds:
1 |
4 |
2 |
3 |
5 |
Putative metabolites:
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| stambomycin C | 2 | 0.53 | 0.47 | 0.61 | 0.4 | Glyco:1/2 * 6-Ring:1/3 * Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | C/C1=C/C(CCCC(C)C)C(O)C(O)CCC(C)CC(O)CC(O)C(C)CCC(O)C(C)C(O)CCCC(O)CC(O)/C=C\C(C)OC(=O)CC2(O)OC(C[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]3O)C2C)C(C)C(O)/C(C)=C\C=C/CC(O)C(C)C(O)CCCC(O)CC1O | view | stambomycin C | ||
| aureobasidin A1 | 3 | 0.42 | 0.48 | 0.47 | 0.0 | Glyco:0/2 * 6-Ring:0/3 * Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | CC[C@@H](C)[C@@H]1OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C1=O | view | aureobasidin A1 | ||
| pristinamycin | 4 | 0.41 | 0.47 | 0.47 | 0.0 | Glyco:0/2 * 6-Ring:0/3 * Sphingo:0/2 * 5-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 | ||
| stambomycin A | 0 | 0.55 | 0.47 | 0.64 | 0.4 | Glyco:1/2 * 6-Ring:1/3 * Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | CCC(C)CCCC1/C=C(/C)C(O)CC(O)CCCC(O)C(C)C(O)C/C=C\C=C(\C)C(O)C(C)C2C[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]3O)C(C)C(O)(CC(=O)OC(C)/C=C\C(O)CC(O)CCCC(O)C(C)C(O)CCC(C)C(O)CC(O)CC(C)CCC(O)C1O)O2 | view | stambomycin A | ||
| stambomycin B | 1 | 0.54 | 0.47 | 0.62 | 0.4 | Glyco:1/2 * 6-Ring:1/3 * Sphingo:0/2 * 5-Ring:0/1 | MIBiG | Source | C/C1=C/C(CCCCC(C)C)C(O)C(O)CCC(C)CC(O)CC(O)C(C)CCC(O)C(C)C(O)CCCC(O)CC(O)/C=C\C(C)OC(=O)CC2(O)OC(C[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]3O)C2C)C(C)C(O)/C(C)=C\C=C/CC(O)C(C)C(O)CCCC(O)CC1O | view | stambomycin B |