@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix ns0: <http://rdf-vocabulary.ddialliance.org/xkos#> .

<http://rdf-vocabulary.ddialliance.org/xkos#monoisotopicmass> rdfs:label "جرم تک‌ایزوتوپی"@fa, "monoisotopicmass"@en .
<http://www.irandoc.acir/onto/irandoc/CHEBI:18379>
  skos:prefLabel "نیتریل"@fa, "nitrile"@en ;
  a <http://www.irandoc.ac.ir/onto/irandoc-meta/Concept>, skos:Concept ;
  skos:narrower <http://www.irandoc.acir/onto/irandoc/CHEBI:129800> .

<http://rdf-vocabulary.ddialliance.org/xkos#formula> rdfs:label "فرمول"@fa, "formula"@en .
<http://www.irandoc.acir/onto/irandoc/CHEBI:129800>
  ns0:inchi "InChI=1S/C27H29N3O3/c28-14-18-6-8-19(9-7-18)20-10-12-21(13-11-20)26-23-15-29(16-25(32)30(23)24(26)17-31)27(33)22-4-2-1-3-5-22/h6-13,22-24,26,31H,1-5,15-17H2/t23-,24-,26+/m0/s1" ;
  ns0:charge "0" ;
  ns0:smiles "C1CCC(CC1)C(=O)N2C[C@H]3[C@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N" ;
  skos:broader <http://www.irandoc.acir/onto/irandoc/CHEBI:18379> ;
  ns0:formula "C27H29N3O3" ;
  ns0:mass "443.538" ;
  ns0:inchikey "CDFZCHJOWIFRLR-KYPHJKQUSA-N" ;
  skos:prefLabel "4-[4-[(6r,7r,8r)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile"@en, "4 [4 [(6R,7R,8R) 4 [سیکلوهگزیل(اکسو)متیل] 8 (هیدروکسی متیل) 2 اکسو 1,4 دیازابیسیکلو[4.2.0]اکتان 7 یل]فنیل]بنزونیتریل"@fa ;
  ns0:subset "2_STAR" ;
  a <http://www.irandoc.ac.ir/onto/irandoc-meta/Concept>, skos:Concept ;
  ns0:monoisotopicmass "443.22089" .

ns0:smiles rdfs:label "اسمایلٓ"@fa, "smiles"@en .
ns0:subset rdfs:label "زیرمجموعه"@fa, "subset"@en .
ns0:inchikey rdfs:label "اینچی‌کی"@fa, "inchikey"@en .
ns0:charge rdfs:label "charge"@en, "بار"@fa .
ns0:inchi rdfs:label "اینچی"@fa, "inchi"@en .
ns0:mass rdfs:label "جرم"@fa, "mass"@en .
