@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:129777> .

<http://rdf-vocabulary.ddialliance.org/xkos#formula> rdfs:label "فرمول"@fa, "formula"@en .
<http://www.irandoc.acir/onto/irandoc/CHEBI:129777>
  a <http://www.irandoc.ac.ir/onto/irandoc-meta/Concept>, skos:Concept ;
  ns0:smiles "C1CCN2[C@@H](CN(C1)C(=O)CC3=CC=NC=C3)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N" ;
  ns0:mass "466.575" ;
  ns0:inchikey "DPTKBUJKCZTPNA-HPUNYJORSA-N" ;
  skos:broader <http://www.irandoc.acir/onto/irandoc/CHEBI:18379> ;
  skos:prefLabel "3-[4-[(8r,9r,10r)-10-(hydroxymethyl)-6-(1-oxo-2-pyridin-4-ylethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile"@en, "3 [4 [(8R,9R,10R) 10 (هیدروکسی متیل) 6 (1 اکسو 2 پیریدین 4 ایل اتیل) 1،6 دیازابیسیکلو[6.2.0] دکان 9 ایل] فنیل] بنزونیتریل"@fa ;
  ns0:charge "0" ;
  ns0:monoisotopicmass "466.23688" ;
  ns0:inchi "InChI=1S/C29H30N4O2/c30-18-22-4-3-5-25(16-22)23-6-8-24(9-7-23)29-26-19-32(14-1-2-15-33(26)27(29)20-34)28(35)17-21-10-12-31-13-11-21/h3-13,16,26-27,29,34H,1-2,14-15,17,19-20H2/t26-,27-,29+/m0/s1" ;
  ns0:formula "C29H30N4O2" ;
  ns0:subset "2_STAR" .

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 .