@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 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 xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.57992/nmrxiv.p5.s39.d94> a dcat:Dataset ;
    dct:conformsTo [ a dct:Standard ],
        [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:creator [ a foaf:Agent ;
            foaf:name "Dose B, Niehs SP, Scherlach K, Shahda S, Flórez LV, Kaltenpoth M, Hertweck C." ] ;
    dct:description "6NFB003_Gladiofungin_A" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p5.s39.d94" ;
    dct:issued "2024-04-22"^^xsd:date ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:modified "2025-12-20"^^xsd:date ;
    dct:publisher <https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p5.s39.d94#sample> ;
    dct:title "6NFB003_Gladiofungin_A[14]" ;
    dcat:landingPage <https://nmrxiv.org/D94> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p5.s39.d94#analysis> .

<http://id.loc.gov/vocabulary/iso639-1/en> a dct:LinguisticSystem .

<http://purl.allotrope.org/ontologies/process#AFP_0003618> a schema1:DefinedTerm ;
    schema1:name "peak identification" .

chmo:0000604 a schema1:DefinedTerm ;
    schema1:name "heteronuclear single quantum coherence" .

chmo:0000800 a schema1:DefinedTerm ;
    schema1:name "spectrum" .

<https://doi.org/10.57992/nmrxiv.p5.s39.d94#analysis> a <http://purl.allotrope.org/ontologies/process#AFP_0003618>,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p5.s39.d94#spectrum> .

<https://doi.org/10.57992/nmrxiv.p5.s39.d94#measurement> a chmo:0000604,
        prov:Activity .

<https://doi.org/10.57992/nmrxiv.p5.s39.d94#sample> a chebi:59999,
        prov:Entity ;
    dct:hasPart <https://doi.org/10.57992/nmrxiv.p5.s39.d94#sample_compound> ;
    dct:relation [ a cheminf:000018,
                prov:Entity ;
            dct:title "assigned SMILES" ;
            prov:value "CC1=C(C(=O)CCCCCCCC/C=C/C(C)C(=O)CC(O)CC2CC(=O)NC(=O)C2)C(=O)OC1O" ],
        [ a cheminf:000113,
                prov:Entity ;
            dct:title "assigned InChi" ;
            prov:value "InChI=1S/C27H39NO8/c1-17(22(31)16-20(29)13-19-14-23(32)28-24(33)15-19)11-9-7-5-3-4-6-8-10-12-21(30)25-18(2)26(34)36-27(25)35/h9,11,17,19-20,26,29,34H,3-8,10,12-16H2,1-2H3,(H,28,32,33)/b11-9+" ],
        [ a cheminf:000113,
                prov:Entity ;
            dct:title "assigned InChi" ;
            prov:value "InChI=1S/C27H39NO8/c1-17(22(31)16-20(29)13-19-14-23(32)28-24(33)15-19)11-9-7-5-3-4-6-8-10-12-21(30)25-18(2)26(34)36-27(25)35/h9,11,17,19-20,26,29,34H,3-8,10,12-16H2,1-2H3,(H,28,32,33)/b11-9+" ],
        [ a cheminf:000059,
                prov:Entity ;
            dct:title "assigned InChiKey" ;
            prov:value "SYADJZZKJSIWKK-PKNBQFBNSA-N" ],
        [ a cheminf:000037,
                prov:Entity ;
            dct:title "assigned IUPACChemicalFormula" ;
            prov:value "C27H39NO8" ],
        [ a cheminf:000037,
                prov:Entity ;
            dct:title "assigned IUPACChemicalFormula" ;
            prov:value "C27H39NO8" ],
        [ a cheminf:000018,
                prov:Entity ;
            dct:title "assigned SMILES" ;
            prov:value "CC1=C(C(=O)CCCCCCCC/C=C/C(C)C(=O)CC(O)CC2CC(=O)NC(=O)C2)C(=O)OC1O" ],
        [ a cheminf:000059,
                prov:Entity ;
            dct:title "assigned InChiKey" ;
            prov:value "SYADJZZKJSIWKK-PKNBQFBNSA-N" ] ;
    dct:title "evaluated sample" .

<https://doi.org/10.57992/nmrxiv.p5.s39.d94#spectrum> a chmo:0000800,
        prov:Entity ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p5.s39.d94#measurement> .

<https://nmrxiv.org/D94> a foaf:Document .

<https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> a foaf:Organization ;
    foaf:name "nmrXiv" .

cheminf:000018 a schema1:DefinedTerm ;
    schema1:name "SMILES" .

cheminf:000037 a schema1:DefinedTerm ;
    schema1:name "IUPACChemicalFormula" .

cheminf:000059 a schema1:DefinedTerm ;
    schema1:name "InChiKey" .

cheminf:000113 a schema1:DefinedTerm ;
    schema1:name "InChi" .