@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/DGGMKOFHAXDTDG-UHFFFAOYSA-N/CHMO0000596.1> 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 distortionless enhancement with polarization transfer (DEPT)

""" ;
    dct:identifier "https://doi.org/10.14272/DGGMKOFHAXDTDG-UHFFFAOYSA-N/CHMO0000596.1" ;
    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/DGGMKOFHAXDTDG-UHFFFAOYSA-N/CHMO0000596.1#sample> ;
    dct:title "distortionless enhancement with polarization transfer (DEPT)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/DGGMKOFHAXDTDG-UHFFFAOYSA-N/CHMO0000596.1#measurement> .

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

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

<https://doi.org/10.14272/DGGMKOFHAXDTDG-UHFFFAOYSA-N/CHMO0000596.1#measurement> a chmo:0000596,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/DGGMKOFHAXDTDG-UHFFFAOYSA-N/CHMO0000596.1#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/177747873> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "Oc1ccc(cc1)OC1=CC2C(=O)N(c3c(cccc3C(C)C)C(C)C)C(=O)c3c2c2c1c1C(=CC4c5c1c(c2c(c3)Oc1ccc(cc1)O)c(Oc1ccc(cc1)O)cc5C(=O)N(C4=O)c1c(cccc1C(C)C)C(C)C)Oc1ccc(cc1)O" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C72H60N2O12" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "DGGMKOFHAXDTDG-UHFFFAOYSA-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 "1145.2530000000006"^^xsd:float ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C72H60N2O12/c1-35(2)47-11-9-12-48(36(3)4)67(47)73-69(79)51-31-55(83-43-23-15-39(75)16-24-43)61-63-57(85-45-27-19-41(77)20-28-45)33-53-60-54(72(82)74(71(53)81)68-49(37(5)6)13-10-14-50(68)38(7)8)34-58(86-46-29-21-42(78)22-30-46)64(66(60)63)62-56(84-44-25-17-40(76)18-26-44)32-52(70(73)80)59(51)65(61)62/h9-38,51,53,75-78H,1-8H3" ] .

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

<https://doi.org/10.14272/DGGMKOFHAXDTDG-UHFFFAOYSA-N/CHMO0000596.1#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/177747873> ;
    dct:title "evaluated sample" .