Cluster scaffolds:
1 |
Putative metabolites:
| Name | Rank | Metabolite Score | Similarity | MCS Score | Post-Mod Score | Post-Mod Info | Source | Link | Smiles | Molview | Full Name | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3-(Z-2´-isocyanoethenyl)-indole | 0 | 0.68 | 0.65 | 0.88 | 0.0 | Cl:0/1 | MIBiG | Source | [C-]#[N+]/C=C\c1c[nH]c2ccccc12 | view | 3-(Z-2´-isocyanoethenyl)-indole | ||
| Xenocyloin A | 1 | 0.62 | 0.75 | 0.68 | 0.0 | Cl:0/1 | MIBiG | Source | CC(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12 | view | Xenocyloin A | ||
| Xenocyloin B | 2 | 0.6 | 0.72 | 0.66 | 0.0 | Cl:0/1 | MIBiG | Source | CCC(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12 | view | Xenocyloin B | ||
| Xenocyloin C | 3 | 0.57 | 0.69 | 0.63 | 0.0 | Cl:0/1 | MIBiG | Source | CC(=O)O[C@@H](Cc1c[nH]c2ccccc12)C(=O)C(C)C | view | Xenocyloin C | ||
| Xenocyloin D | 4 | 0.56 | 0.67 | 0.62 | 0.0 | Cl:0/1 | MIBiG | Source | CCC(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)OC(C)=O | view | Xenocyloin D |