@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix chemdcatap: <https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/> .
@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 ns1: <http://qudt.org/schema/qudt/> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.14272/WTZAYGNDNRJSNL-MYGLTJDJSA-N/CHMO0001009> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description """dataset for high-performance liquid chromatography (HPLC)

""" ;
    dct:identifier "https://doi.org/10.14272/WTZAYGNDNRJSNL-MYGLTJDJSA-N/CHMO0001009" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/5d8cf908-018e-4085-886f-62c28ac9772a> ;
    dct:subject <https://doi.org/10.14272/WTZAYGNDNRJSNL-MYGLTJDJSA-N/CHMO0001009#sample> ;
    dct:title "high-performance liquid chromatography (HPLC)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/WTZAYGNDNRJSNL-MYGLTJDJSA-N/CHMO0001009#measurement> .

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

chmo:0001009 a schema1:DefinedTerm ;
    schema1:name "high-performance liquid chromatography" .

<https://doi.org/10.14272/WTZAYGNDNRJSNL-MYGLTJDJSA-N/CHMO0001009#measurement> a chmo:0001009,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/WTZAYGNDNRJSNL-MYGLTJDJSA-N/CHMO0001009#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/156599659> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C26H38N4O4/c1-4-5-12-19-23(31)28-20(16-18-10-7-6-8-11-18)24(32)29-21(15-17(2)3)26(34)30-14-9-13-22(30)25(33)27-19/h6-8,10-11,17,19-22H,4-5,9,12-16H2,1-3H3,(H,27,33)(H,28,31)(H,29,32)/t19-,20-,21-,22+/m0/s1" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C26H38N4O4" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)CC(C)C" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "(3S,6S,9S,12R)-6-benzyl-9-butyl-3-(2-methylpropyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "WTZAYGNDNRJSNL-MYGLTJDJSA-N" ],
        [ a <http://purl.allotrope.org/ontologies/result#AFR_0002409> ;
            dct:title "assigned exact mass" ;
            ns1:hasQuantityKind <http://qudt.org/vocab/quantitykind/MolarMass> ;
            ns1:unit <https://qudt.org/vocab/unit/GM-PER-MOL> ;
            prov:value "470.6043199999998"^^xsd:float ] .

<https://search.nfdi4chem.de/organization/5d8cf908-018e-4085-886f-62c28ac9772a> a foaf:Organization ;
    foaf:name "Chemotion - Repository " .

<https://doi.org/10.14272/WTZAYGNDNRJSNL-MYGLTJDJSA-N/CHMO0001009#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/156599659> ;
    dct:title "evaluated sample" .