@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/HXMGAWQWWGPJEO-UHFFFAOYSA-N/CHMO0001148> 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 multiple bond coherence (13C-1H HMBC)

""" ;
    dct:identifier "https://doi.org/10.14272/HXMGAWQWWGPJEO-UHFFFAOYSA-N/CHMO0001148" ;
    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/HXMGAWQWWGPJEO-UHFFFAOYSA-N/CHMO0001148#sample> ;
    dct:title "1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/HXMGAWQWWGPJEO-UHFFFAOYSA-N/CHMO0001148#measurement> .

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

chmo:0001148 a schema1:DefinedTerm ;
    schema1:name "1H–13C heteronuclear multiple bond coherence" .

<https://doi.org/10.14272/HXMGAWQWWGPJEO-UHFFFAOYSA-N/CHMO0001148#measurement> a chmo:0001148,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/HXMGAWQWWGPJEO-UHFFFAOYSA-N/CHMO0001148#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/177747870> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C85H44O2S21/c86-85(87)77-43-50(57-19-22-60(98-57)75-41-48(55-17-20-58(96-55)71-37-44(51-9-1-29-88-51)78(102-71)64-13-5-33-92-64)82(106-75)68-26-23-61(99-68)73-39-46(53-11-3-31-90-53)80(104-73)66-15-7-35-94-66)84(108-77)70-28-25-63(101-70)76-42-49(56-18-21-59(97-56)72-38-45(52-10-2-30-89-52)79(103-72)65-14-6-34-93-65)83(107-76)69-27-24-62(100-69)74-40-47(54-12-4-32-91-54)81(105-74)67-16-8-36-95-67/h1-43H,(H,86,87)" ],
        [ 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 "1770.6226600000018"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C85H44O2S21" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "HXMGAWQWWGPJEO-UHFFFAOYSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "OC(=O)c1sc(c(c1)c1ccc(s1)c1sc(c(c1)c1ccc(s1)c1sc(c(c1)c1cccs1)c1cccs1)c1ccc(s1)c1sc(c(c1)c1cccs1)c1cccs1)c1ccc(s1)c1sc(c(c1)c1ccc(s1)c1sc(c(c1)c1cccs1)c1cccs1)c1ccc(s1)c1sc(c(c1)c1cccs1)c1cccs1" ] .

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

<https://doi.org/10.14272/HXMGAWQWWGPJEO-UHFFFAOYSA-N/CHMO0001148#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/177747870> ;
    dct:title "evaluated sample" .