@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:020 a sh:SPARQLExecutable,
        sh:SPARQLSelectExecutable ;
    rdfs:comment "Natural producers (and their interactions that might be useful in agriculture) of Onpordopicrin (wd:Q27107580), which might exhibit antimicrobial and cytotoxic activities, especially against human-derived macrophages and against epidermoid carcinoma cells. There is limited scientific evidence to support these claims (https://www.sciencedirect.com/science/article/abs/pii/S138614251500685X)."@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/>
PREFIX wgs: <http://www.w3.org/2003/01/geo/wgs84_pos#>
PREFIX prov: <http://www.w3.org/ns/prov#>
SELECT DISTINCT ?sourceWD ?sourceName ?intxnName ?targetWD ?targetName ?loc WHERE {
	# trait data
	?intxn emi:hasSource ?xOrg ; # retrieve interaction-pairs
        	emi:hasTarget ?yOrg ;
		emi:isClassifiedWith ?intxnName ;
		prov:atLocation ?loc ; # retrieve location, latitude and longitude of interactions
		wgs:lat ?lats ;
		wgs:long ?longs .
	?xOrg emi:inTaxon ?sourceWD ; # retrieve interaction-source and its scientific name as listed in GloBI
		rdfs:label ?sourceName ;
		sosa:isSampleOf ?sourceSample .
	?yOrg emi:inTaxon ?targetWD ; # retrieve interaction-target and its scientific name as listed in GloBI
		rdfs:label ?targetName ;
		sosa:isSampleOf ?targetSample .

	# metabolite data
        {
		SELECT DISTINCT ?targetWD ?wd_chem WHERE {
			?material sosa:hasSample ?extract ;
                        	sosa:isSampleOf ?organe .
                	?organe emi:inTaxon ?targetWD .	# filter by target wikidata-id
                	?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:Q27107580 } # filter on the wikidata-id of Onpordopicrin
		}
	} UNION	# union with the lotus metabolite data from wikidata
	{
		SERVICE <https://qlever.dev/api/wikidata> {
			?wd_chem wdt:P235 ?ik ;
   				wdt:P703 ?targetWD .
		 	VALUES ?wd_chem { wd:Q27107580 }
		}
	}
}""" ;
    schema:target <https://kg.earthmetabolome.org/metrin/api/> ;
    spex:federatesWith <https://qlever.dev/api/wikidata> .