Individual skill
tooluniverse-natural-product-dereplication
Dereplicate a putative natural product and assign its chemical taxonomy. Use to answer "is [compound] a known natural product", "what microbe/organism produces [compound]", "what chemical class is [compound]", "dereplicate this metabolite (by formula/exact mass/InChIKey/SMILES)", or "classify this molecule into ChemOnt". Searches NPAtlas for known microbial natural products (producing organism + literature reference), assigns the ChemOnt kingdom→superclass→class→subclass hierarchy via ClassyFire, resolves systematic IUPAC names to structure via OPSIN, and cross-references identity in PubChem. NOT for general drug/compound identity or ADMET (use tooluniverse-chemical-compound-retrieval / tooluniverse-small-molecule-discovery) and NOT for metabolomics pathway/enrichment analysis (use tooluniverse-metabolomics skills).
plugin/skills/tooluniverse-natural-product-dereplication/SKILL.md
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# Natural Product Dereplication & Chemotaxonomy
Decide whether a putative natural product is **already known**, identify the **microbe that produces it**, attach the **literature reference**, and assign its **ChemOnt chemical class**. This is the dereplication question every NP chemist and metabolomics analyst asks of a new feature: *"have we seen this before, and what makes it?"*
**LOOK UP DON'T GUESS**: Never assume an NPAID, producing organism, exact mass, or chemical class. Every identity, provenance, and taxonomy claim must come from a live tool call.
**Scope (microbial NPs only)**: NPAtlas covers natural products from **bacteria and fungi**. It does NOT cover plant, animal, or marine-invertebrate metabolites unless a microbial producer was reported. A "no NPAtlas hit" therefore means *not a known microbial NP* — it does not prove the molecule is novel in an absolute sense.
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## Backing Tools (all keyless; verify before quoting)
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