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Overview

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Cluster browser

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Domains

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Modify scaffold

Rerun the scoring with custom input

Cluster scaffolds:

1

Putative metabolites:

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Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure

3-(Z-2´-isocyan... 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

Showing 1 to 5 of 5 entries
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