@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/QVAADPPLQSWGQE-XZOQPEGZSA-N/CHMO0001146> 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 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

""" ;
    dct:identifier "https://doi.org/10.14272/QVAADPPLQSWGQE-XZOQPEGZSA-N/CHMO0001146" ;
    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/QVAADPPLQSWGQE-XZOQPEGZSA-N/CHMO0001146#sample> ;
    dct:title "1H--13C heteronuclear single quantum coherence (1H-13C HSQC)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/QVAADPPLQSWGQE-XZOQPEGZSA-N/CHMO0001146#measurement> .

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

chmo:0001146 a schema1:DefinedTerm ;
    schema1:name "1H–13C heteronuclear single quantum coherence" .

<https://doi.org/10.14272/QVAADPPLQSWGQE-XZOQPEGZSA-N/CHMO0001146#measurement> a chmo:0001146,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/QVAADPPLQSWGQE-XZOQPEGZSA-N/CHMO0001146#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/146170771> a chebi:23367 ;
    sio:000008 [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "(6S,12R)-6-benzyl-4-cyclohexyl-10-prop-2-enyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone" ],
        [ 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 "480.59913999999975"^^xsd:float ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C27H36N4O4/c1-2-15-29-18-24(32)28-22(17-20-10-5-3-6-11-20)26(34)31(21-12-7-4-8-13-21)19-25(33)30-16-9-14-23(30)27(29)35/h2-3,5-6,10-11,21-23H,1,4,7-9,12-19H2,(H,28,32)/t22-,23+/m0/s1" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C27H36N4O4" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "QVAADPPLQSWGQE-XZOQPEGZSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C=CCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(CC(=O)N2[C@@H](C1=O)CCC2)C1CCCCC1" ] .

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

<https://doi.org/10.14272/QVAADPPLQSWGQE-XZOQPEGZSA-N/CHMO0001146#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/146170771> ;
    dct:title "evaluated sample" .