@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 prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .

<https://doi.org/10.57992/nmrxiv.p143.s1400.d6210> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description "No description" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p143.s1400.d6210" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p143.s1400.d6210#sample> ;
    dct:title "O_acetyl_phallacidin[4]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p143.s1400.d6210#measurement> .

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

chmo:0000604 a schema1:DefinedTerm ;
    schema1:name "heteronuclear single quantum coherence" .

<https://doi.org/10.57992/nmrxiv.p143.s1400.d6210#measurement> a chmo:0000604,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p143.s1400.d6210#sample> .

<https://doi.org/10.57992/nmrxiv.p143.s1400.d6210#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(=O)O[C@@H](C(=O)O)[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@@H]2CC3=C(CC4=C3C=CC=C4)SC[C@H](NC1=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](C)C(=O)N2" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "SEJDHXSNDMXXIB-JGWRIINFSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C40H53N7O14S/c1-17(2)29-36(55)46-30(31(39(58)59)61-19(4)49)37(56)44-26-15-62-28-10-20-8-6-7-9-22(20)23(28)12-24(33(52)43-25(34(53)45-29)13-40(5,60)16-48)42-32(51)18(3)41-35(54)27-11-21(50)14-47(27)38(26)57/h6-9,17-18,21,24-27,29-31,48,50,60H,10-16H2,1-5H3,(H,41,54)(H,42,51)(H,43,52)(H,44,56)(H,45,53)(H,46,55)(H,58,59)/t18-,21-,24-,25-,26-,27-,29-,30+,31+,40+/m0/s1" ] .

<https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> a foaf:Organization ;
    foaf:name "nmrXiv" .

<https://doi.org/10.57992/nmrxiv.p143.s1400.d6210#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p143.s1400.d6210#sample_compound> ;
    dct:title "evaluated sample" .

