1 |
Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kendomycin | 0 | 0.68 | 0.55 | 0.7 | 1.0 | Non detected. | MIBiG | Source | CC1=C2O[C@]3(O)C=C2C(=C(O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C | view | Kendomycin | ||
nemadectin | 1 | 0.67 | 0.53 | 0.69 | 1.0 | Non detected. | MIBiG | Source | CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4\CO[C@H]([C@@H]1O)[C@@]42O)OC1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 | view | nemadectin | ||
Bafilomycin B1 | 2 | 0.66 | 0.55 | 0.66 | 1.0 | Non detected. | MIBiG | Source | CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O | view | Bafilomycin B1 | ||
JBIR-100 | 3 | 0.66 | 0.58 | 0.63 | 1.0 | Non detected. | MIBiG | Source | C/C1=C/C(C)C(O)C(C)C/C(C)=C\C=C/CC(C(C)C(O)C(C)C2(O)CC(OC(=O)/C=C/C(=O)O)C(C)C(C(C)C)O2)OC(=O)\C(C)=C/1 | view | JBIR-100 | ||
clavaric acid | 4 | 0.64 | 0.53 | 0.64 | 1.0 | Non detected. | MIBiG | Source | C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)CC(C)(O)CC(=O)O)C(=O)C(C)(C)[C@@H]1CC3 | view | clavaric acid |
© 2018 Pharmaceutical Bioinformatics