@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/MAPYDYSIRUOQRZ-BEQMOXJMSA-N/CHMO0000593> 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 nuclear magnetic resonance spectroscopy (1H NMR)

""" ;
    dct:identifier "https://doi.org/10.14272/MAPYDYSIRUOQRZ-BEQMOXJMSA-N/CHMO0000593" ;
    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/MAPYDYSIRUOQRZ-BEQMOXJMSA-N/CHMO0000593#sample> ;
    dct:title "1H nuclear magnetic resonance spectroscopy (1H NMR)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/MAPYDYSIRUOQRZ-BEQMOXJMSA-N/CHMO0000593#measurement> .

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

chmo:0000593 a schema1:DefinedTerm ;
    schema1:name "1H nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.14272/MAPYDYSIRUOQRZ-BEQMOXJMSA-N/CHMO0000593#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/MAPYDYSIRUOQRZ-BEQMOXJMSA-N/CHMO0000593#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/175666117> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C86H68O4S2/c1-87-73-37-27-65(28-38-73)85(66-29-39-74(88-2)40-30-66)63-23-19-61(20-24-63)71-35-47-83-79(53-71)77-51-57(11-45-81(77)91-83)9-17-69-49-55-5-13-59(69)15-7-56-6-14-60(16-8-55)70(50-56)18-10-58-12-46-82-78(52-58)80-54-72(36-48-84(80)92-82)62-21-25-64(26-22-62)86(67-31-41-75(89-3)42-32-67)68-33-43-76(90-4)44-34-68/h5-6,9-14,17-54,85-86H,7-8,15-16H2,1-4H3/b17-9+,18-10+" ],
        [ 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 "1229.5877200000002"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C86H68O4S2" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "COc1ccc(cc1)C(c1ccc(cc1)OC)c1ccc(cc1)c1ccc2c(c1)c1cc(/C=C/c3cc4CCc5ccc(CCc3cc4)cc5/C=C/c3ccc4c(c3)c3cc(ccc3s4)c3ccc(cc3)C(c3ccc(cc3)OC)c3ccc(cc3)OC)ccc1s2" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "MAPYDYSIRUOQRZ-BEQMOXJMSA-N" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "2-[4-[bis(4-methoxyphenyl)methyl]phenyl]-8-[(E)-2-[11-[(E)-2-[8-[4-[bis(4-methoxyphenyl)methyl]phenyl]dibenzothiophen-2-yl]ethenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]ethenyl]dibenzothiophene" ] .

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

<https://doi.org/10.14272/MAPYDYSIRUOQRZ-BEQMOXJMSA-N/CHMO0000593#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/175666117> ;
    dct:title "evaluated sample" .