wd_nps_match_formula

• License: https://creativecommons.org/publicdomain/zero/1.0/

rq turtle/ttl

• natural products

Taxa containing compounds corresponding to chemical formula.

Use at

• https://query.wikidata.org/sparql

PREFIX wdt: <http://www.wikidata.org/prop/direct/>
#title: Taxa containing compounds corresponding to chemical formula.
SELECT DISTINCT ?compound ?smiles_canonical ?formula ?taxon ?taxon_name WHERE {
  {
    VALUES ?formula {
      "C₉H₁₁Cl₂FN₂O₂S₂" # Use lower case digits ₁₂₃₄₅₆₇₈₉₀
      "C₂₂H₂₂O₉"
    }
    ?compound wdt:P274 ?formula;
    wdt:P233 ?smiles_canonical;
    wdt:P703 ?taxon.
    ?taxon wdt:P225 ?taxon_name.}
}

graph TD
classDef projected fill:lightgreen;
classDef literal fill:orange;
classDef iri fill:yellow;
  v2("?compound"):::projected 
  v1("?formula"):::projected 
  v3("?smiles_canonical"):::projected 
  v4("?taxon"):::projected 
  v5("?taxon_name"):::projected 
  bind0[/VALUES ?formula/]
  bind0-->v1
  bind00(["C₉H₁₁Cl₂FN₂O₂S₂"])
  bind00 --> bind0
  bind01(["C₂₂H₂₂O₉"])
  bind01 --> bind0
  v2 --"wdt:P274"-->  v1
  v2 --"wdt:P233"-->  v3
  v2 --"wdt:P703"-->  v4
  v4 --"wdt:P225"-->  v5