@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:017 a sh:SPARQLExecutable,
        sh:SPARQLSelectExecutable ;
    rdfs:comment "List metabolites of plants that interact with plant parasite moth Orgyia postica (wd:Q7102162) ."@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 ?intxnLabel ?targetWD ?targetName ?ik ?wd_chem WHERE {
	# interaction data
	{
		SELECT DISTINCT ?sourceWD ?sourceName ?intxnName ?intxnLabel ?targetWD ?targetName WHERE {
                	?intxn emi:hasSource ?source ; # retrieve interaction-pairs
                		emi:hasTarget ?target ;
                                emi:isClassifiedWith ?intxnName .
                        ?target emi:inTaxon ?targetWD ;	# retrieve wikidata-id for target plant
				sosa:isSampleOf ?targetSample ;
				rdfs:label ?targetName .
			?source emi:inTaxon ?sourceWD ;	# retrieve wikidata-id for source parasite
				sosa:isSampleOf ?sourceSample ;
				rdfs:label ?sourceName .
			?intxnName rdfs:label ?intxnLabel
                        VALUES ?sourceWD { wd:Q7102162 } # retain results only if the source-WD matches the wikidata-id of Orgyia postica
                }
	}
	# metabolite data
	{
		SELECT DISTINCT ?targetWD ?ik ?wd_chem WHERE {
                	?material sosa:hasSample ?extract ;
                      		sosa:isSampleOf ?organe .
                      	?organe emi:inTaxon ?targetWD .	# filter metabolite data which is found in wikidata-ids targetWD
                      	?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 .	# retrieve wikidata-ids for metabolites
                }
	} UNION	#union with data from lotus (integrated in wikidata)
	{
		SERVICE <https://qlever.dev/api/wikidata> {
			?wd_chem wdt:P235 ?ik ;
				wdt:P703 ?targetWD .
		}
		SERVICE <https://qlever.dev/api/wikidata> {
               		?targetWD wdt:P171* wd:Q879246 . # filter source wikidata ids which are plants
                     	OPTIONAL { ?targetWD wdt:P225 ?targetName . }
               	}
	}
}""" ;
    schema:target <https://kg.earthmetabolome.org/metrin/api/> ;
    spex:federatesWith <https://qlever.dev/api/wikidata> .