LOTUS

A Wikidata hosted open natural products occurrences database

Acknowledgments

What is LOTUS ?

graphical abstract

How did we built LOTUS ?

workflow 1
StructureOrganismReference

Before curation

Cyathocaline

Stem bark of Cyathocalyx zeylanica CHAMP. ex HOOK. f. & THOMS. (Annonaceae)

Wijeratne E. M. K., de Silva L. B., Kikuchi T., Tezuka Y., Gunatilaka A. A. L., Kingston D. G. I., J. Nat. Prod., 58, 459-462 (1995).

After curation

VFIIVOHWCNHINZ-UHFFFAOYSA-N

Cyathocalyx zeylanicus

10.1021/NP50117A020

Why LOTUS for metabolomics?

graphical abstract

Metabolites annotation!

Arabidopsis example

arabidopsis

Beta-sitosterol example

sitosterol

Double dissemination

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Double dissemination

workflow 2

Double dissemination

double distribution

LNPN

Wikidata

Queries

Original question

"Hey Wikidata, Which organisms are known to contain quercetin (REFJWTPEDVJJIY-UHFFFAOYSA-N)?"

SPARQL translation

SELECT DISTINCT ?parent_taxon ?parent_taxonname ?taxon ?taxonname WHERE {
  VALUES ?classes { wd:Q113145171 wd:Q59199015 }
  ?compound wdt:P31 ?classes;
    wdt:P235 "REFJWTPEDVJJIY-UHFFFAOYSA-N". ?taxon wdt:P171 ?parent_taxon.
  { ?compound p:P703 ?stmt. ?stmt ps:P703 ?taxon.
    { ?stmt prov:wasDerivedFrom ?ref. ?ref pr:P248 ?art.
      SERVICE <https://query-scholarly.wikidata.org/sparql> { ?art wdt:P356 ?art_doi. } } }
  ?taxon wdt:P225 ?taxonname. ?parent_taxon wdt:P225 ?parent_taxonname.
}

Organisms containing quercetin

Structures found in Quercus spp.

Structures with anti-infective activity per genus

Chemically interpreted biological tree

magic tree

Sitosterol interpreted biological tree

sitosterol tree 1

Sitosterol interpreted biological tree

sitosterol tree 2

Sitosterol interpreted biological tree

sitosterol tree 3

Sitosterol interpreted biological tree

sitosterol tree 4

Sitosterol interpreted biological tree

sitosterol tree 5

Perspectives

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Perspectives

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Perspectives

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Thank you!