@prefix ex: <https://kg.earthmetabolome.org/metrin/api/.well-known/examples/> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix schema: <https://schema.org/> .
@prefix sh: <http://www.w3.org/ns/shacl#> .
@prefix spex:<https://purl.expasy.org/sparql-examples/ontology#> .

ex:021 a sh:SPARQLExecutable,
        sh:SPARQLSelectExecutable ;
    rdfs:comment "List possible interactions of plants that can produce Norhyocyamine (wd:Q27107545), a plant secondary metabolite."@en ;
    sh:prefixes _:sparql_examples_prefixes ;
    sh:select """PREFIX wd: <http://www.wikidata.org/entity/>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX wdt: <http://www.wikidata.org/prop/direct/>
PREFIX emi: <https://w3id.org/emi#>
PREFIX sosa: <http://www.w3.org/ns/sosa/>
SELECT DISTINCT ?sourceWD ?sourceName ?intxnName ?intxnId ?targetWD ?targetName WHERE {
	# interaction data
	{
        	?intxn emi:hasSource ?xOrg ; # retrieve interaction-pairs
                	emi:hasTarget ?yOrg ;
                        emi:isClassifiedWith ?intxnId .
                ?intxnId rdfs:label ?intxnName .
                ?xOrg emi:inTaxon ?sourceWD ;
			rdfs:label ?sourceName .
		?yOrg emi:inTaxon ?targetWD ;
			rdfs:label ?targetName .
        }

	# metabolite data
	FILTER (?xWD = ?sourceWD || ?xWD = ?targetWD)	# ensure that xWD can be both source/target from the interaction-pairs retrieved before
        {
		SELECT DISTINCT ?xWD ?wd_chem WHERE {
                	?material sosa:hasSample ?extract ;
                        	sosa:isSampleOf ?organe .
                        ?organe emi:inTaxon ?xWD .
                        ?extract sosa:isFeatureOfInterestOf ?lcms .
                        ?lcms sosa:hasResult ?feature_list .
                        ?feature_list emi:hasLCMSFeature ?feature .
                        ?feature emi:hasAnnotation ?sirius_annotation .
                        ?sirius_annotation a emi:StructuralAnnotation ;
                        	emi:hasChemicalStructure ?ik2d .
                        ?ik2d emi:hasSMILES ?smiles ;
                        	emi:isInChIKey2DOf ?ik .
                        ?ik emi:isInChIKeyOf ?wd_chem .
                        VALUES ?wd_chem { wd:Q27107545 }
                }
	}  UNION # union with data from wikidata (lotus)
	{
		SERVICE <https://qlever.dev/api/wikidata> {
			?wd_chem wdt:P235 ?ik ;
   				wdt:P703 ?xWD .
			VALUES ?wd_chem { wd:Q27107545 }
		}
	}
}""" ;
    schema:target <https://kg.earthmetabolome.org/metrin/api/> ;
    spex:federatesWith <https://qlever.dev/api/wikidata> .