@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix cheminf: <http://semanticscience.org/resource/CHEMINF_> .
@prefix chmo: <http://purl.obolibrary.org/obo/CHMO_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dcatap: <http://data.europa.eu/r5r/> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.57992/nmrxiv.p5.s40.d106> a dcat:Dataset ;
    dcatap:applicableLegislation <https://creativecommons.org/licenses/by/4.0/legalcode> ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ;
            dct:title "ChemDCAT-AP" ] ;
    dct:creator [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Dose B" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Scherlach K" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Kaltenpoth M" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Flórez LV" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Niehs SP" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Hertweck C." ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Shahda S" ] ;
    dct:description "6NSR006_ necroxime_A" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p5.s40.d106" ;
    dct:issued "2024-04-22"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-12-20"^^xsd:date ;
    dct:publisher [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "http://purl.org/adms/publishertype/Academia-ScientificOrganisation" ;
                    skos:prefLabel "Academia/Scientific organisation" ] ;
            foaf:name "nmrXiv" ] ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p5.s40.d106#sample> ;
    dct:title "6NSR006_ necroxime_A[12]" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p5.s40.d106" ],
        [ a adms:Identifier ;
            dct:description "The id of this dataset within the NFDI4Chem Search Service (https://search.nfdi4chem.de/)" ;
            dct:title "Search Service ID" ;
            skos:notation "https://search.nfdi4chem.de/dataset/nmrxiv-d106" ] ;
    dcat:landingPage <https://nmrxiv.org/D106> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p5.s40.d106#measurement> .

chmo:0000596 a schema1:DefinedTerm ;
    schema1:name "distortionless enhancement with polarization transfer" .

<https://creativecommons.org/licenses/by/4.0/legalcode> a <http://data.europa.eu/eli/ontology#LegalResource> ;
    dct:title "Attribution 4.0 International" .

<https://doi.org/10.57992/nmrxiv.p5.s40.d106#measurement> a chmo:0000596,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.57992/nmrxiv.p5.s40.d106#sample> .

<https://doi.org/10.57992/nmrxiv.p5.s40.d106#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C33H44N4O11/c1-20(38)18-28(42)37-23(10-3-4-15-34)32(43)47-26-19-22(9-6-16-35-27(41)12-7-17-36-45-2)46-33(44)29-21(8-5-11-24(29)39)13-14-25(40)30-31(26)48-30/h5-8,11-14,16-17,20,22-23,25-26,30-31,38-40H,3-4,9-10,15,18-19,34H2,1-2H3,(H,35,41)(H,37,42)/b12-7-,14-13+,16-6+,36-17+" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CO/N=C/C=C\\C(=O)N/C=C/CC1CC(OC(=O)C(CCCCN)NC(=O)CC(C)O)C2OC2C(O)/C=C/C2=CC=CC(O)=C2C(=O)O1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "DCGOFMMAYQGADN-WUFKFVIHSA-N" ] .

<https://nmrxiv.org/D106> a foaf:Document .

<https://doi.org/10.57992/nmrxiv.p5.s40.d106#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p5.s40.d106#sample_compound> ;
    dct:title "evaluated sample" .