diff --git a/src/ontology/imports/chebi_import.owl b/src/ontology/imports/chebi_import.owl index 7d88964..5c7ecc3 100644 --- a/src/ontology/imports/chebi_import.owl +++ b/src/ontology/imports/chebi_import.owl @@ -7,8 +7,8 @@ Prefix(rdfs:=) Ontology( - -Annotation(owl:versionInfo "2025-01-28") + +Annotation(owl:versionInfo "2025-02-17") Declaration(Class()) Declaration(Class()) @@ -50,10 +50,34 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -62,16 +86,20 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -80,6 +108,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -101,6 +130,8 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -129,16 +160,23 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -1316,6 +1354,595 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (Boron trifluoride etherate) + +AnnotationAssertion( "0") +AnnotationAssertion( "C4H10O.BF3") +AnnotationAssertion( "InChI=1S/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;") +AnnotationAssertion( "KZMGYPLQYOPHEL-UHFFFAOYSA-N") +AnnotationAssertion( "141.930") +AnnotationAssertion( "142.07768") +AnnotationAssertion( "B(F)(F)F.O(CC)CC") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "SUBMITTER") "BF3.Et2O") +AnnotationAssertion( "CHEBI:231495") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Boron trifluoride etherate") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (scandium nitrate) + +AnnotationAssertion( "An inorganic nitrate salt having Sc(3+) as the counterion.") +AnnotationAssertion( "0") +AnnotationAssertion( "NO3.NO3.NO3.Sc") +AnnotationAssertion( "InChI=1S/3NO3.Sc/c3*2-1(3)4;/q3*-1;+3") +AnnotationAssertion( "DFCYEXJMCFQPPA-UHFFFAOYSA-N") +AnnotationAssertion( "230.968") +AnnotationAssertion( "230.91936") +AnnotationAssertion( "[Sc+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23350751") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:30080026") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35335383") +AnnotationAssertion( "Wikipedia:13465-60-6") +AnnotationAssertion( "Wikipedia:Scandium_nitrate") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "scandium trinitrate") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Sc(NO3)3") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid scandium(3+) salt") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid, scandium(3+) salt") +AnnotationAssertion(Annotation( "ChEBI") "scandium nitrate (Sc(NO3)3)") +AnnotationAssertion(Annotation( "ChEBI") "scandium(3+) nitrate") +AnnotationAssertion(Annotation( "ChEBI") "scandium(3+) trinitrate") +AnnotationAssertion(Annotation( "ChEBI") "scandium(III) nitrate") +AnnotationAssertion(Annotation( "ChEBI") "tris(nitrato-O,O')scandium") +AnnotationAssertion( "CHEBI:231498") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "scandium nitrate") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (titanium tetrachloride) + +AnnotationAssertion( "A titanium molecular entity that is titanium which carries 4 chlorine atoms.") +AnnotationAssertion( "0") +AnnotationAssertion( "Cl4Ti") +AnnotationAssertion( "InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4") +AnnotationAssertion( "XJDNKRIXUMDJCW-UHFFFAOYSA-J") +AnnotationAssertion( "189.670") +AnnotationAssertion( "187.82335") +AnnotationAssertion( "Cl[Ti](Cl)(Cl)Cl") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7550-45-0") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:30210541") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31459120") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32551348") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32775858") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:33403630") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:33511532") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:33715746") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34252674") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34380292") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34528791") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35166548") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35613484") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:36272804") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:36415852") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:36615254") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:36615464") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:36758354") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:36982242") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37582091") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37629812") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37931042") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38282685") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38334535") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38398529") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38656102") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:7378496") +AnnotationAssertion( "Wikipedia:Titanium_tetrachloride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "titanium(4+) tetrachloride") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "TiCl4") +AnnotationAssertion(Annotation( "ChEBI") "tetrachlorotitanium") +AnnotationAssertion(Annotation( "ChEBI") "titanium chloride") +AnnotationAssertion(Annotation( "ChEBI") "titanium chloride (TiCl4)") +AnnotationAssertion(Annotation( "ChEBI") "titanium(IV) chloride") +AnnotationAssertion(Annotation( "ChEBI") "titanium(IV) tetrachloride") +AnnotationAssertion( "CHEBI:231499") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "titanium tetrachloride") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (Vanadium oxytrichloride) + +AnnotationAssertion( "0") +AnnotationAssertion( "Cl3OV") +AnnotationAssertion( "InChI=1S/3ClH.O.V/h3*1H;;/q;;;;+3/p-3") +AnnotationAssertion( "JBIQAPKSNFTACH-UHFFFAOYSA-K") +AnnotationAssertion( "173.290") +AnnotationAssertion( "171.84543") +AnnotationAssertion( "[V](Cl)(=O)(Cl)Cl") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:231500") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Vanadium oxytrichloride") +SubClassOf( ) + +# Class: (Potassium cobalticyanide) + +AnnotationAssertion( "0") +AnnotationAssertion( "CN.CN.CN.CN.CN.CN.Co.K.K.K") +AnnotationAssertion( "InChI=1S/6CN.Co.3K/c6*1-2;;;;/q6*-1;+3;3*+1") +AnnotationAssertion( "LGRDAQPMSDIUQJ-UHFFFAOYSA-N") +AnnotationAssertion( "332.336") +AnnotationAssertion( "331.84276") +AnnotationAssertion( "[Co+3].N#[C-].N#[C-].[C-]#N.[K+].[K+].[K+].[C-]#N.[C-]#N.[C-]#N") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:231502") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Potassium cobalticyanide") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (Cu(MeCN)4ClO4) + +AnnotationAssertion( "0") +AnnotationAssertion( "C2H3N.C2H3N.C2H3N.C2H3N.ClO4.Cu") +AnnotationAssertion( "InChI=1S/4C2H3N.ClHO4.Cu/c4*1-2-3;2-1(3,4)5;/h4*1H3;(H,2,3,4,5);/q;;;;;+1/p-1") +AnnotationAssertion( "FXYIJMLSVDZYOJ-UHFFFAOYSA-M") +AnnotationAssertion( "327.200") +AnnotationAssertion( "325.98431") +AnnotationAssertion( "Cl([O-])(=O)(=O)=O.[Cu+].C(#N)C.C(#N)C.C(#N)C.C(#N)C") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:231503") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Cu(MeCN)4ClO4") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (zinc nitrate) + +AnnotationAssertion( "An inorganic nitrate salt having zinc(2+) as the couterion.") +AnnotationAssertion( "0") +AnnotationAssertion( "NO3.NO3.Zn") +AnnotationAssertion( "InChI=1S/2NO3.Zn/c2*2-1(3)4;/q2*-1;+2") +AnnotationAssertion( "ONDPHDOFVYQSGI-UHFFFAOYSA-N") +AnnotationAssertion( "189.390") +AnnotationAssertion( "187.90478") +AnnotationAssertion( "[Zn++].[O-][N+]([O-])=O.[O-][N+]([O-])=O") +AnnotationAssertion(Annotation( "ChEBI") "CAS:7779-88-6") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26491297") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31398835") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35057288") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35685711") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37828577") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38356607") +AnnotationAssertion( "Wikipedia:Zinc_nitrate") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "zinc dinitrate") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Zn(NO3)2") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid zinc salt") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid, zinc salt") +AnnotationAssertion(Annotation( "ChEBI") "zinc(II) nitrate") +AnnotationAssertion( "CHEBI:231504") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "zinc nitrate") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (gallium nitrate) + +AnnotationAssertion( "The inorganic nitrate salt of gallium.") +AnnotationAssertion( "0") +AnnotationAssertion( "NO3.NO3.NO3.Ga") +AnnotationAssertion( "InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1") +AnnotationAssertion( "CHPZKNULDCNCBW-UHFFFAOYSA-N") +AnnotationAssertion( "255.735") +AnnotationAssertion( "254.88903") +AnnotationAssertion( "[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O") +AnnotationAssertion( "CHEBI:5269") +AnnotationAssertion(Annotation( "ChEBI") "CAS:13494-90-1") +AnnotationAssertion( "DrugBank:DB05260") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23959335") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24060870") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24656780") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26055478") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26149986") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26369125") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26647856") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26885514") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27027708") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:29394029") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31216793") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31264851") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31475514") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31773196") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32845117") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32896958") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:33078927") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:33257448") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:33715736") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34065605") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34133200") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34346692") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34775292") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35564180") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:36049087") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:36385992") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:36621329") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37272820") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37471668") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38672503") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:7428136") +AnnotationAssertion( "Wikipedia:Gallium_nitrate") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "gallium trinitrate") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Ga(NO3)3") +AnnotationAssertion(Annotation( "DrugBank") Annotation( ) "Ganite") +AnnotationAssertion(Annotation( "ChEBI") "gallium nitrate anhydrous") +AnnotationAssertion(Annotation( "ChEBI") "gallium(III) nitrate") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid gallium salt") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid, gallium salt") +AnnotationAssertion( "CHEBI:231505") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "gallium nitrate") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (tetramethylgermane) + +AnnotationAssertion( "An organogermanium compound that is germanium which carries four methyl groups.") +AnnotationAssertion( "0") +AnnotationAssertion( "C4H12Ge") +AnnotationAssertion( "InChI=1S/C4H12Ge/c1-5(2,3)4/h1-4H3") +AnnotationAssertion( "ZRLCXMPFXYVHGS-UHFFFAOYSA-N") +AnnotationAssertion( "132.770") +AnnotationAssertion( "134.01508") +AnnotationAssertion( "C[Ge](C)(C)C") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:865-52-1") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:15112560") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:15913252") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:16610821") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:20305357") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23753000") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26617304") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:30849877") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetramethylgermane") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "(CH3)4Ge") +AnnotationAssertion(Annotation( "ChEBI") "Ge(CH3)4") +AnnotationAssertion(Annotation( "ChEBI") "Me4Ge") +AnnotationAssertion(Annotation( "ChEBI") "tetramethyl germanium") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "tetramethylgermanium") +AnnotationAssertion( "CHEBI:231506") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "tetramethylgermane") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (Sodium hexafluoroarsenate) + +AnnotationAssertion( "0") +AnnotationAssertion( "AsF6.Na") +AnnotationAssertion( "InChI=1S/AsF6.Na/c2-1(3,4,5,6)7;/q-1;+1") +AnnotationAssertion( "NFXMAZFYHDSPPB-UHFFFAOYSA-N") +AnnotationAssertion( "211.902") +AnnotationAssertion( "211.90178") +AnnotationAssertion( "[As-](F)(F)(F)(F)(F)F.[Na+]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:231507") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Sodium hexafluoroarsenate") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (Zirconocene dichloride) + +AnnotationAssertion( "0") +AnnotationAssertion( "C10H10Cl2Zr") +AnnotationAssertion( "InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2") +AnnotationAssertion( "QRUYYSPCOGSZGQ-UHFFFAOYSA-L") +AnnotationAssertion( "292.310") +AnnotationAssertion( "289.92066") +AnnotationAssertion( "[Zr](Cl)(C1C=CC=C1)(C2C=CC=C2)Cl") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:231508") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Zirconocene dichloride") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (Ammonium pertechnetate) + +AnnotationAssertion( "0") +AnnotationAssertion( "H4N.O4Tc") +AnnotationAssertion( "InChI=1S/H3N.4O.Tc/h1H3;;;;;/q;;;;-1;/p+1") +AnnotationAssertion( "WJULHBIORCQBSY-UHFFFAOYSA-O") +AnnotationAssertion( "179.040") +AnnotationAssertion( "179.01000") +AnnotationAssertion( "[Tc](=O)([O-])(=O)=O.[NH4+]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:231509") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Ammonium pertechnetate") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (Potassium hexacyanoruthenate(ii)) + +AnnotationAssertion( "0") +AnnotationAssertion( "C6N6Ru.K.K.K.K") +AnnotationAssertion( "InChI=1S/6CN.4K.Ru/c6*1-2;;;;;/q6*-1;4*+1;+2") +AnnotationAssertion( "FRCBOHAGKUJBHE-UHFFFAOYSA-N") +AnnotationAssertion( "413.570") +AnnotationAssertion( "413.77761") +AnnotationAssertion( "[CH-](#N)[Ru+2]([CH-]#N)([CH-]#N)([CH-]#N)([CH-]#N)[CH-]#N.[K+].[K+].[K+].[K+]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:231510") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Potassium hexacyanoruthenate(ii)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (Potassium hexachloropalladate(IV)) + +AnnotationAssertion( "0") +AnnotationAssertion( "Cl6Pd.K.K") +AnnotationAssertion( "InChI=1S/6ClH.2K.Pd/h6*1H;;;/q;;;;;;2*+1;+4/p-6") +AnnotationAssertion( "OEDRXJBJMMJUSV-UHFFFAOYSA-H") +AnnotationAssertion( "397.320") +AnnotationAssertion( "393.64401") +AnnotationAssertion( "[Pd-2](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:231511") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Potassium hexachloropalladate(IV)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (indium(III) nitrate) + +AnnotationAssertion( "The trinitrate salt of indium.") +AnnotationAssertion( "0") +AnnotationAssertion( "NO3.NO3.NO3.In") +AnnotationAssertion( "InChI=1S/In.3NO3/c;3*2-1(3)4/q+3;3*-1") +AnnotationAssertion( "LKRFCKCBYVZXTC-UHFFFAOYSA-N") +AnnotationAssertion( "300.830") +AnnotationAssertion( "300.86733") +AnnotationAssertion( "[In+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O") +AnnotationAssertion(Annotation( "ChEBI") "CAS:13770-61-1") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31152235") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38456408") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38787340") +AnnotationAssertion( "Wikipedia:Indium(III)_nitrate") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "indium trinitrate") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "In(NO3)3") +AnnotationAssertion(Annotation( "ChEBI") "indium nitrate") +AnnotationAssertion(Annotation( "ChEBI") "indium(III) nitrate anhydrous") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid indium(3+) salt") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid, indium(3+) salt") +AnnotationAssertion( "CHEBI:231512") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "indium(III) nitrate") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (Kaliumhexachloroantimonat(V)) + +AnnotationAssertion( "0") +AnnotationAssertion( "Cl6Sb.K") +AnnotationAssertion( "InChI=1S/6ClH.K.Sb/h6*1H;;/q;;;;;;+1;+5/p-6") +AnnotationAssertion( "QWPXFQMWSGNALL-UHFFFAOYSA-H") +AnnotationAssertion( "373.560") +AnnotationAssertion( "369.68063") +AnnotationAssertion( "[Sb-](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:231513") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Kaliumhexachloroantimonat(V)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (caesium nitrate) + +AnnotationAssertion( "The inorganic nitrate salt of caesium.") +AnnotationAssertion( "0") +AnnotationAssertion( "NO3.Cs") +AnnotationAssertion( "InChI=1S/Cs.NO3/c;2-1(3)4/q+1;-1") +AnnotationAssertion( "NLSCHDZTHVNDCP-UHFFFAOYSA-N") +AnnotationAssertion( "194.909") +AnnotationAssertion( "194.89327") +AnnotationAssertion( "[Cs+].[O-][N+]([O-])=O") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7789-18-6") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:10855667") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11080873") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:16755612") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:17117865") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:30151534") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35411853") +AnnotationAssertion( "Wikipedia:Caesium_nitrate") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "caesium nitrate") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "CsNO3") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "cesium nitrate") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid cesium salt") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid, cesium salt") +AnnotationAssertion( "CHEBI:231514") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "caesium nitrate") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (lanthanum trichloride) + +AnnotationAssertion( "The trichloride salt of lanthanum.") +AnnotationAssertion( "0") +AnnotationAssertion( "Cl3La") +AnnotationAssertion( "InChI=1S/3ClH.La/h3*1H;/q;;;+3/p-3") +AnnotationAssertion( "ICAKDTKJOYSXGC-UHFFFAOYSA-K") +AnnotationAssertion( "245.260") +AnnotationAssertion( "243.81292") +AnnotationAssertion( "Cl[La](Cl)Cl") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:10099-58-8") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25048927") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:29698762") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:30116365") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:30617363") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31187842") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31776842") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32461997") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:33206094") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34688703") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34977076") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35303612") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35661286") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35727352") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35809677") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:36006215") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37767339") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37837874") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38222531") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38322316") +AnnotationAssertion( "Wikipedia:Lanthanum(III)_chloride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lanthanum trichloride") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "LaCl3") +AnnotationAssertion(Annotation( "ChEBI") "lanthanum chloride") +AnnotationAssertion(Annotation( "ChEBI") "lanthanum chloride (LaCl3)") +AnnotationAssertion(Annotation( "ChEBI") "lanthanum(III) chloride") +AnnotationAssertion( "CHEBI:231515") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "lanthanum trichloride") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (tetramethylsilane-d12) + +AnnotationAssertion( "A deuterated compound that is tetramethylsilane in which the twelve hydrogens are replaced by deuterium.") +AnnotationAssertion( "0") +AnnotationAssertion( "C4D12Si") +AnnotationAssertion( "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3/i1D3,2D3,3D3,4D3") +AnnotationAssertion( "CZDYPVPMEAXLPK-MGKWXGLJSA-N") +AnnotationAssertion( "100.298") +AnnotationAssertion( "100.14615") +AnnotationAssertion( "[2H]C([2H])([2H])[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]") +AnnotationAssertion(Annotation( "ChEBI") "CAS:18145-38-5") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetrakis[((2)H3)methyl]silane") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "(CD3)4Si") +AnnotationAssertion(Annotation( "ChEBI") "TMS-d12") +AnnotationAssertion(Annotation( "ChEBI") "tetra((2)H3)methylsilane") +AnnotationAssertion(Annotation( "ChEBI") "tetra(methyl-d3)silane") +AnnotationAssertion(Annotation( "ChEBI") "tetrakis(trideuteriomethyl)silane") +AnnotationAssertion(Annotation( "ChEBI") "tetrakis(trideuteromethyl)silane") +AnnotationAssertion(Annotation( "ChEBI") "tetramethylsilane (TMS)-d12") +AnnotationAssertion( "CHEBI:231529") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "tetramethylsilane-d12") +SubClassOf( ) +SubClassOf( ) + +# Class: (Potassium;tantalum(5+);hexachloride) + +AnnotationAssertion( "0") +AnnotationAssertion( "Cl.Cl.Cl.Cl.Cl.Cl.K.Ta") +AnnotationAssertion( "InChI=1S/6ClH.K.Ta/h6*1H;;/q;;;;;;+1;+5/p-6") +AnnotationAssertion( "WLOUZLJQZAAGJG-UHFFFAOYSA-H") +AnnotationAssertion( "432.750") +AnnotationAssertion( "429.72482") +AnnotationAssertion( "[Ta+5].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:231536") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Potassium;tantalum(5+);hexachloride") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (Potassium perrhenate) + +AnnotationAssertion( "0") +AnnotationAssertion( "O4Re.K") +AnnotationAssertion( "InChI=1S/K.4O.Re/q+1;;;;-1;") +AnnotationAssertion( "QFKRWIFGDGKWLM-UHFFFAOYSA-N") +AnnotationAssertion( "289.301") +AnnotationAssertion( "289.89911") +AnnotationAssertion( "[Re](=O)(=O)(=O)[O-].[K+]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:231537") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Potassium perrhenate") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (Bismut(III)-nitrat) + +AnnotationAssertion( "0") +AnnotationAssertion( "NO3.NO3.NO3.Bi") +AnnotationAssertion( "InChI=1S/Bi.3NO3/c;3*2-1(3)4/q+3;3*-1") +AnnotationAssertion( "PPNKDDZCLDMRHS-UHFFFAOYSA-N") +AnnotationAssertion( "394.992") +AnnotationAssertion( "394.94385") +AnnotationAssertion( "[Bi+3].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:231538") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Bismut(III)-nitrat") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (potassium hexachloroniobate(1-)) + +AnnotationAssertion( "0") +AnnotationAssertion( "Cl6Nb.K") +AnnotationAssertion( "InChI=1S/6ClH.K.Nb/h6*1H;;/q;;;;;;+1;+5/p-6") +AnnotationAssertion( "GCHPLIDUVOJGPP-UHFFFAOYSA-H") +AnnotationAssertion( "344.700") +AnnotationAssertion( "341.68319") +AnnotationAssertion( "[K+].Cl[Nb-](Cl)(Cl)(Cl)(Cl)Cl") +AnnotationAssertion(Annotation( "Europe PMC") "PMCID:PMC7157447") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "potassium hexachloroniobate(1-)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "KNbCl6") +AnnotationAssertion(Annotation( "ChEBI") "K[NbCl6]") +AnnotationAssertion( "CHEBI:231541") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "potassium hexachloroniobate(1-)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) + # Class: (molecular entity) AnnotationAssertion( "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.") @@ -1410,6 +2037,48 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (sodium chloride) + +AnnotationAssertion( "An inorganic chloride salt having sodium(1+) as the counterion.") +AnnotationAssertion( "0") +AnnotationAssertion( "ClNa") +AnnotationAssertion( "InChI=1S/ClH.Na/h1H;/q;+1/p-1") +AnnotationAssertion( "FAPWRFPIFSIZLT-UHFFFAOYSA-M") +AnnotationAssertion( "58.44247") +AnnotationAssertion( "57.95862") +AnnotationAssertion( "[Na+].[Cl-]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7647-14-5") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7647-14-5") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7647-14-5") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:13673") +AnnotationAssertion( "KEGG:C13563") +AnnotationAssertion( "KEGG:D02056") +AnnotationAssertion( "MetaCyc:NACL") +AnnotationAssertion( "PPDB:595") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3534976") +AnnotationAssertion( "Wikipedia:Sodium_Chloride") +AnnotationAssertion(Annotation( "ChEBI") "sodium chloride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium chloride") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Kochsalz") +AnnotationAssertion(Annotation( "IUPAC") "NaCl") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Natriumchlorid") +AnnotationAssertion(Annotation( "ChEBI") "chlorure de sodium") +AnnotationAssertion(Annotation( "ChEBI") "cloruro sodico") +AnnotationAssertion(Annotation( "ChemIDplus") "common salt") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "halite") +AnnotationAssertion(Annotation( "ChEBI") "natrii chloridum") +AnnotationAssertion(Annotation( "ChemIDplus") "rock salt") +AnnotationAssertion(Annotation( "ChemIDplus") "salt") +AnnotationAssertion(Annotation( "ChemIDplus") "table salt") +AnnotationAssertion( "CHEBI:26710") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "sodium chloride") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (hydrogen fluoride) AnnotationAssertion( "A diatomic molecule containing covalently bonded hydrogen and fluorine atoms.") @@ -1621,6 +2290,35 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (tetracarbonylnickel) + +AnnotationAssertion( "0") +AnnotationAssertion( "C4NiO4") +AnnotationAssertion( "InChI=1S/4CO.Ni/c4*1-2;") +AnnotationAssertion( "AWDHUGLHGCVIEG-UHFFFAOYSA-N") +AnnotationAssertion( "170.73380") +AnnotationAssertion( "169.91500") +AnnotationAssertion( "[O]#C[Ni](C#[O])(C#[O])C#[O]") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:6122797") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:6711606") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:13463-39-3") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:13463-39-3") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:101586") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:3135") +AnnotationAssertion( "MolBase:138") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetracarbonylnickel") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetracarbonylnickel(0)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") "Nickel carbonyl") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Nickel tetracarbonyl") +AnnotationAssertion(Annotation( "IUPAC") "[Ni(CO)4]") +AnnotationAssertion( "CHEBI:30372") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "tetracarbonylnickel") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (tetramethyltin) AnnotationAssertion( "An organotin compound carrying four methyl groups.") @@ -1741,6 +2439,44 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (potassium chloride) + +AnnotationAssertion( "A metal chloride salt with a K(+) counterion.") +AnnotationAssertion( "0") +AnnotationAssertion( "ClK") +AnnotationAssertion( "InChI=1S/ClH.K/h1H;/q;+1/p-1") +AnnotationAssertion( "WCUXLLCKKVVCTQ-UHFFFAOYSA-M") +AnnotationAssertion( "74.55100") +AnnotationAssertion( "73.93256") +AnnotationAssertion( "[Cl-].[K+]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7447-40-7") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7447-40-7") +AnnotationAssertion( "DrugBank:DB00761") +AnnotationAssertion( "KEGG:D02060") +AnnotationAssertion( "MetaCyc:KCL") +AnnotationAssertion( "MolBase:881") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3534978") +AnnotationAssertion( "Wikipedia:Potassium_Chloride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "potassium chloride") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "KCl") +AnnotationAssertion(Annotation( "ChEBI") "Kaliumchlorid") +AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Kaon-Cl 10") +AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Klor-con") +AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Klotrix") +AnnotationAssertion(Annotation( "DrugBank") "Monopotassium chloride") +AnnotationAssertion(Annotation( "MolBase") "[KCl]") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "muriate of potash") +AnnotationAssertion(Annotation( "ChEBI") "sylvite") +AnnotationAssertion( "CHEBI:32588") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "potassium chloride") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (sodium acetate) AnnotationAssertion( "0") @@ -1792,6 +2528,53 @@ AnnotationAssertion( "boron trifluoride") SubClassOf( ) +# Class: (calcium dichloride) + +AnnotationAssertion( "0") +AnnotationAssertion( "CaCl2") +AnnotationAssertion( "InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2") +AnnotationAssertion( "UXVMQQNJUSDDNG-UHFFFAOYSA-L") +AnnotationAssertion( "110.98340") +AnnotationAssertion( "109.90030") +AnnotationAssertion( "[Cl-].[Cl-].[Ca++]") +AnnotationAssertion(Annotation( "Europe PMC") "AGR:IND607339542") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:10043-52-4") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:10043-52-4") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:10043-52-4") +AnnotationAssertion( "DrugBank:DB01164") +AnnotationAssertion( "FooDB:FDB015404") +AnnotationAssertion( "HMDB:HMDB0303526") +AnnotationAssertion( "KEGG:C08130") +AnnotationAssertion( "MetaCyc:CPD0-1589") +AnnotationAssertion( "MolBase:1869") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11057678") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:13333715") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32018153") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32441097") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34618995") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34981086") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35159430") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35159592") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35200459") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:35260323") +AnnotationAssertion( "PPDB:109") +AnnotationAssertion( "Wikipedia:Calcium_Chloride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "calcium chloride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "calcium dichloride") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "CaCl2") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Calcium chloride anhydrous") +AnnotationAssertion(Annotation( "MolBase") "[CaCl2]") +AnnotationAssertion(Annotation( "ChemIDplus") "calcium chloride anhydrous") +AnnotationAssertion( "CHEBI:3312") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "calcium dichloride") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (application) AnnotationAssertion( "Intended use of the molecular entity or part thereof by humans.") @@ -1847,6 +2630,30 @@ AnnotationAssertion( "elemental molecular entity") SubClassOf( ) +# Class: (neon atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "Ne") +AnnotationAssertion( "InChI=1S/Ne") +AnnotationAssertion( "GKAOGPIIYCISHV-UHFFFAOYSA-N") +AnnotationAssertion( "20.17970") +AnnotationAssertion( "19.99244") +AnnotationAssertion( "[Ne]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-01-9") +AnnotationAssertion( "WebElements:Ne") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "neon") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "10Ne") +AnnotationAssertion(Annotation( "ChEBI") "Ne") +AnnotationAssertion(Annotation( "ChEBI") "Neon") +AnnotationAssertion(Annotation( "ChEBI") "neon") +AnnotationAssertion( "CHEBI:33310") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "neon atom") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (technetium-99) AnnotationAssertion( "0") @@ -2011,6 +2818,30 @@ AnnotationAssertion( "polyatomic entity") SubClassOf( ) +# Class: (strontium dichloride) + +AnnotationAssertion( "0") +AnnotationAssertion( "Cl2Sr") +AnnotationAssertion( "InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2") +AnnotationAssertion( "AHBGXTDRMVNFER-UHFFFAOYSA-L") +AnnotationAssertion( "158.52540") +AnnotationAssertion( "157.84332") +AnnotationAssertion( "[Cl-].[Cl-].[Sr++]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:10476-85-4") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:10476-85-4") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:463924") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "strontium chloride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "strontium dichloride") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "SrCl2") +AnnotationAssertion( "CHEBI:36383") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "strontium dichloride") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (triphenylphosphane oxide) AnnotationAssertion( "A phosphine oxide in which the substituents on phosphorus are three phenyl groups.") @@ -2644,6 +3475,62 @@ SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (lithium chloride) + +AnnotationAssertion( "A metal chloride salt with a Li(+) counterion.") +AnnotationAssertion( "0") +AnnotationAssertion( "ClLi") +AnnotationAssertion( "InChI=1S/ClH.Li/h1H;/q;+1/p-1") +AnnotationAssertion( "KWGKDLIKAYFUFQ-UHFFFAOYSA-M") +AnnotationAssertion( "42.39370") +AnnotationAssertion( "41.98486") +AnnotationAssertion( "[Li+].[Cl-]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7447-41-8") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7447-41-8") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:21301855") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24398558") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lithium chloride") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "LiCl") +AnnotationAssertion(Annotation( "ChEBI") "Lithiumchlorid") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "chlorure de lithium") +AnnotationAssertion(Annotation( "ChEBI") "cloruro de litio") +AnnotationAssertion(Annotation( "ChEBI") "lithii chloridum") +AnnotationAssertion( "CHEBI:48607") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "lithium chloride") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (krypton atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "Kr") +AnnotationAssertion( "InChI=1S/Kr") +AnnotationAssertion( "DNNSSWSSYDEUBZ-UHFFFAOYSA-N") +AnnotationAssertion( "83.80000") +AnnotationAssertion( "83.91150") +AnnotationAssertion( "[Kr]") +AnnotationAssertion( "CHEBI:33312") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7439-90-9") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7439-90-9") +AnnotationAssertion( "WebElements:Kr") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "krypton") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "36Kr") +AnnotationAssertion(Annotation( "IUPAC") "Kr") +AnnotationAssertion(Annotation( "ChEBI") "cripton") +AnnotationAssertion(Annotation( "ChEBI") "kripton") +AnnotationAssertion(Annotation( "ChEBI") "krypton") +AnnotationAssertion( "CHEBI:49696") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "krypton atom") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (chemical role) AnnotationAssertion( "A role played by the molecular entity or part thereof within a chemical context.") @@ -3213,6 +4100,55 @@ AnnotationAssertion( "magnesium-25 atom") SubClassOf( ) +# Class: (beryllium sulfate) + +AnnotationAssertion( "A metal sulfate in which the metal is beryllium (in the +2 oxidation state) and the ratio of beryllium to sulfate is 1:1.") +AnnotationAssertion( "0") +AnnotationAssertion( "BeO4S") +AnnotationAssertion( "InChI=1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2") +AnnotationAssertion( "KQHXBDOEECKORE-UHFFFAOYSA-L") +AnnotationAssertion( "105.07500") +AnnotationAssertion( "104.96391") +AnnotationAssertion( "[Be++].[O-]S([O-])(=O)=O") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:13510-49-1") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:13510-49-1") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:8296") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11207315") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11423174") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11678613") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11897645") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:16951350") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18250483") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18768897") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:20549306") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:2179717") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:2469014") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:2930060") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:2954196") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:3498695") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:3764912") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:3824419") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:7122994") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:8991630") +AnnotationAssertion( "Patent:US4316840") +AnnotationAssertion( "Patent:US4394524") +AnnotationAssertion( "Patent:US5436364") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:13316867") +AnnotationAssertion( "Wikipedia:Beryllium_sulfate") +AnnotationAssertion(Annotation( "ChemIDplus") "Beryllium sulfate") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "beryllium sulfate") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "BeSO4") +AnnotationAssertion(Annotation( "ChemIDplus") "Beryllium sulphate") +AnnotationAssertion(Annotation( "ChEBI") "beryllium(II) sulfate") +AnnotationAssertion( "CHEBI:53473") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "beryllium sulfate") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (tetramethylammonium bromide) AnnotationAssertion( "The bromide salt of tetramethylammonium.") @@ -3273,6 +4209,32 @@ AnnotationAssertion( ) AnnotationAssertion(rdfs:label "chemical substance") +# Class: (sodium bromide) + +AnnotationAssertion( "An inorganic sodium salt having bromide as the counterion.") +AnnotationAssertion( "0") +AnnotationAssertion( "BrNa") +AnnotationAssertion( "InChI=1S/BrH.Na/h1H;/q;+1/p-1") +AnnotationAssertion( "JHJLBTNAGRQEKS-UHFFFAOYSA-M") +AnnotationAssertion( "102.89400") +AnnotationAssertion( "101.90811") +AnnotationAssertion( "[Na+].[Br-]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7647-15-6") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7647-15-6") +AnnotationAssertion( "Wikipedia:Sodium_bromide") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") "Bromide salt of sodium") +AnnotationAssertion(Annotation( "ChemIDplus") "Bromnatrium") +AnnotationAssertion(Annotation( "SUBMITTER") "NaBr") +AnnotationAssertion(Annotation( "ChemIDplus") "Trisodium tribromide") +AnnotationAssertion( "CHEBI:63004") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "sodium bromide") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (sodium nitrate) AnnotationAssertion( "The inorganic nitrate salt of sodium.") @@ -3307,6 +4269,34 @@ SubClassOf( ) SubClassOf( ) +# Class: (barium chloride) + +AnnotationAssertion( "The inorganic dichloride salt of barium.") +AnnotationAssertion( "0") +AnnotationAssertion( "BaCl2") +AnnotationAssertion( "InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2") +AnnotationAssertion( "WDIHJSXYQDMJHN-UHFFFAOYSA-L") +AnnotationAssertion( "208.23300") +AnnotationAssertion( "207.84295") +AnnotationAssertion( "[Cl-].[Cl-].[Ba++]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:10361-37-2") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:10361-37-2") +AnnotationAssertion( "MetaCyc:CPD0-1592") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:21601246") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1209229") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:8128158") +AnnotationAssertion( "Wikipedia:Barium_chloride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "barium dichloride") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "MetaCyc") "BaCl2") +AnnotationAssertion( "CHEBI:63317") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "barium chloride") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (sodium tungstate) AnnotationAssertion( "An inorganic sodium salt having tungstate as the counterion. Combines with hydrogen peroxide for the oxidation of secondary amines to nitrones.") @@ -3386,6 +4376,79 @@ AnnotationAssertion( "NMR shift reagent") SubClassOf( ) +# Class: (sodium molybdate (anhydrous)) + +AnnotationAssertion( "An inorganic sodium salt having molybdate as the counterion.") +AnnotationAssertion( "0") +AnnotationAssertion( "MoNa2O4") +AnnotationAssertion( "InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1") +AnnotationAssertion( "TVXXNOYZHKPKGW-UHFFFAOYSA-N") +AnnotationAssertion( "205.92000") +AnnotationAssertion( "207.86460") +AnnotationAssertion( "[Na+].[Na+].[O-][Mo]([O-])(=O)=O") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7631-95-0") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7631-95-0") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7631-95-0") +AnnotationAssertion( "KEGG:C15455") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:11323078") +AnnotationAssertion( "Wikipedia:Sodium_molybdate") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium dioxido(dioxo)molybdenum") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") "Disodium molybdate") +AnnotationAssertion(Annotation( "ChemIDplus") "Molybdic acid, disodium salt") +AnnotationAssertion(Annotation( "ChEBI") "Na2MoO4") +AnnotationAssertion(Annotation( "ChemIDplus") "Natriummolybdat") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Sodium molybdate(VI)") +AnnotationAssertion(Annotation( "ChEBI") "disodium tetraoxomolybdate") +AnnotationAssertion(Annotation( "ChEBI") "sodium molybdate") +AnnotationAssertion(Annotation( "ChEBI") "sodium molybdate (anh.)") +AnnotationAssertion(Annotation( "ChEBI") "sodium orthomolybdate") +AnnotationAssertion( "CHEBI:75215") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "sodium molybdate (anhydrous)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (potassium chromate) + +AnnotationAssertion( "A potassium salt consisting of potassium and chromate ions in a 2:1 ratio.") +AnnotationAssertion( "0") +AnnotationAssertion( "CrK2O4") +AnnotationAssertion( "InChI=1S/Cr.2K.4O/q;2*+1;;;2*-1") +AnnotationAssertion( "XMXNVYPJWBTAHN-UHFFFAOYSA-N") +AnnotationAssertion( "194.19030") +AnnotationAssertion( "193.84758") +AnnotationAssertion( "[K+].[K+].[O-][Cr]([O-])(=O)=O") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7789-00-6") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:1372703") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:1858300") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:1897900") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19577443") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19839488") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:3947421") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:6771085") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:7073801") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:7395526") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:8692229") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:11343356") +AnnotationAssertion( "Wikipedia:Potassium_chromate") +AnnotationAssertion(Annotation( "ChemIDplus") "Potassium chromate") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dipotassium dioxido(dioxo)chromium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") "Bipotassium chromate") +AnnotationAssertion(Annotation( "ChemIDplus") "Chromic acid, dipotassium salt") +AnnotationAssertion(Annotation( "ChemIDplus") "Dipotassium chromate") +AnnotationAssertion(Annotation( "ChemIDplus") "Dipotassium monochromate") +AnnotationAssertion(Annotation( "ChemIDplus") "Potassium chromate(VI)") +AnnotationAssertion( "CHEBI:75249") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "potassium chromate") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (deuterated compound) AnnotationAssertion( "Any isotopically modified compound that has one or more hydrogen atoms replaced by deuterium.") @@ -3468,6 +4531,82 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (rubidium chloride) + +AnnotationAssertion( "An inorganic chloride composed of rubidium and chloride ions in a 1:1 ratio.") +AnnotationAssertion( "0") +AnnotationAssertion( "ClRb") +AnnotationAssertion( "InChI=1S/ClH.Rb/h1H;/q;+1/p-1") +AnnotationAssertion( "FGDZQCVHDSGLHJ-UHFFFAOYSA-M") +AnnotationAssertion( "120.92100") +AnnotationAssertion( "119.88064") +AnnotationAssertion( "[Cl-].[Rb+]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7791-11-9") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7791-11-9") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:108740") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:1159626") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:1748232") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:2010564") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:3311597") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:3379141") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:349155") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:5436089") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:5561654") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:6206870") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:6705481") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:690649") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:8412574") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:8926857") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3534980") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:9321247") +AnnotationAssertion( "Wikipedia:Rubidium_chloride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "rubidium chloride") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") "Rubidium monochloride") +AnnotationAssertion( "CHEBI:78672") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "rubidium chloride") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (potassium iodide) + +AnnotationAssertion( "A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals.") +AnnotationAssertion( "0") +AnnotationAssertion( "IK") +AnnotationAssertion( "K.I") +AnnotationAssertion( "InChI=1S/HI.K/h1H;/q;+1/p-1") +AnnotationAssertion( "NLKNQRATVPKPDG-UHFFFAOYSA-M") +AnnotationAssertion( "166.00277") +AnnotationAssertion( "165.86818") +AnnotationAssertion( "[K+].[I-]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7681-11-0") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7681-11-0") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7681-11-0") +AnnotationAssertion( "KEGG:C08219") +AnnotationAssertion( "KEGG:D01016") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11004629") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:15206581") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23475155") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23793210") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24044784") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24635765") +AnnotationAssertion( "PPDB:1529") +AnnotationAssertion( "Wikipedia:Potassium_Iodide") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Potassium iodide") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "potassium iodide") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "KI") +AnnotationAssertion(Annotation( "ChEBI") "Kaliumiodid") +AnnotationAssertion( "CHEBI:8346") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "potassium iodide") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (tetramethylsilane) AnnotationAssertion( "An organosilicon compound that is silane in which the hydrogens have been replaced by methyl groups.") diff --git a/src/ontology/imports/chebi_terms.txt b/src/ontology/imports/chebi_terms.txt index 2730cfe..f05c195 100644 --- a/src/ontology/imports/chebi_terms.txt +++ b/src/ontology/imports/chebi_terms.txt @@ -27,6 +27,7 @@ CHEBI:76107 # deuterated compound CHEBI:156265 # methanol-d4 CHEBI:193038 # acetonitrile-d3 CHEBI:193039 # benzene-d6 +CHEBI:231538 # Bismut(III)-nitrat CHEBI:193040 # N,N-dimethylformamide-d7 CHEBI:193041 # dimethyl sulfoxide-d6 CHEBI:193042 # dichloromethane-d2 @@ -45,6 +46,7 @@ CHEBI:193134 # 1,1,2,2-tetrachlorethane-d2 CHEBI:193135 # dimethyl ether-d6 CHEBI:193136 # fluorosulfonic acid CHEBI:193146 # antimony pentafluoride +CHEBI:63317 # barium chloride CHEBI:193148 # bromine pentafluoride CHEBI:41981 # dideuterium oxide CHEBI:48236 # trichlorofluoromethane @@ -60,45 +62,82 @@ CHEBI:85487 # 3-(trimethylsilyl)propionic acid CHEBI:38472 # acetonitrile CHEBI:16134 # ammonia CHEBI:85364 # ammonium bromide -CHEBI:33093 # boron trifluoride +CHEBI:62946 # ammonium sulfate +CHEBI:231509 # Ammonium pertechnetate +CHEBI:53473 # beryllium sulfate +CHEBI:231495 # Boron trifluoride etherate +CHEBI:231514 # caesium nitrate +CHEBI:3312 # calcium dichloride +CHEBI:231503 # Cu(MeCN)4ClO4 CHEBI:85365 # deuterated chloroform CHEBI:30236 # difluorine CHEBI:4613 # dimethyl telluride CHEBI:229455 # dimethylcadmium CHEBI:30786 # dimethylmercury CHEBI:4610 # dimethylselenide +CHEBI:231505 # gallium nitrate +CHEBI:231513 # Kaliumhexachloroantimonat(V) +CHEBI:49696 # krypton atom CHEBI:33681 # helium(0) CHEBI:39429 # hexafluoroacetone CHEBI:38589 # hexafluorobenzene CHEBI:29228 # hydrogen fluoride +CHEBI:231512 # indium(III) nitrate +CHEBI:231515 # lanthanum trichloride +CHEBI:48607 # lithium chloride +CHEBI:6636 # magnesium dichloride CHEBI:5115 # monofluorobenzene CHEBI:34856 # morpholine +CHEBI:33310 # neon atom CHEBI:77701 # nitromethane CHEBI:88215 # osmium tetroxide CHEBI:30251 # pentacarbonyliron CHEBI:26078 # phosphoric acid +CHEBI:32588 # potassium chloride +CHEBI:75249 # potassium chromate +CHEBI:231502 # Potassium cobalticyanide CHEBI:66872 # potassium fluoride +CHEBI:231541 # potassium hexachloroniobate(1−) +CHEBI:231511 # Potassium hexachloropalladate(IV) +CHEBI:231510 # Potassium hexacyanoruthenate(ii) +CHEBI:231537 # Potassium perrhenate +CHEBI:231536 # Potassium;tantalum(5+);hexachloride +CHEBI:8346 # potassium iodide CHEBI:16227 # pyridine CHEBI:229457 # rhodium acetylacetonate +CHEBI:78672 # rubidium chloride +CHEBI:231498 # scandium nitrate CHEBI:32130 # silver(1+) nitrate CHEBI:85363 # sodium 3-(trimethylsilyl)propionate CHEBI:32954 # sodium acetate +CHEBI:63004 # sodium bromide +CHEBI:26710 # sodium chloride CHEBI:59606 # sodium hexachloroplatinate +CHEBI:75215 # sodium molybdate (anhydrous) CHEBI:63005 # sodium nitrate CHEBI:63940 # sodium tungstate CHEBI:30496 # sulfur hexafluoride +CHEBI:231507 # Sodium hexafluoroarsenate +CHEBI:36383 # strontium dichloride +CHEBI:30372 # tetracarbonylnickel CHEBI:55317 # tetramethylammonium bromide +CHEBI:231506 # tetramethylgermane CHEBI:30183 # tetramethyllead CHEBI:85361 # tetramethylsilane +CHEBI:231529 # tetramethylsilane-d12 CHEBI:30420 # tetramethyltin +CHEBI:231499 # titanium tetrachloride CHEBI:229458 # titan(III)-nitrate CHEBI:48236 # trichlorofluoromethane CHEBI:45892 # trifluoroacetic acid CHEBI:46324 # trimethyl phosphate CHEBI:36601 # triphenylphosphane oxide CHEBI:183318 # triphenylphosphine +CHEBI:231500 # Vanadium oxytrichloride CHEBI:229456 # xenon oxytetrafluoride CHEBI:229454 # yttrium nitrate +CHEBI:231504 # zinc nitrate +CHEBI:231508 # Zirconocene dichloride # isotopes CHEBI:29236 # protium atom diff --git a/src/ontology/nmrCV-edit.owl b/src/ontology/nmrCV-edit.owl index 8e4312d..d276905 100644 --- a/src/ontology/nmrCV-edit.owl +++ b/src/ontology/nmrCV-edit.owl @@ -906,6 +906,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class(oboInOwl:ObsoleteClass)) Declaration(NamedIndividual()) Declaration(NamedIndividual()) @@ -1046,7 +1047,7 @@ AnnotationAssertion(obo:IAO_0000233 ) AnnotationAssertion(dcterms:created "2024-08-22T15:12:21Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "NMR chemical shift calibration compound role"@en) -SubClassOf( ) +SubClassOf(Annotation(rdfs:comment "Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds.") Annotation(rdfs:isDefinedBy ) ) # Class: (NMR concentration calibration compound role) @@ -1487,14 +1488,14 @@ AnnotationAssertion(rdfs:comment "This is a AnnotationAssertion(rdfs:label "23Na spectrum chemical shift reference compound"@en) SubClassOf( ) -# Class: (21N spectrum chemical shift reference compound) +# Class: (21Ne spectrum chemical shift reference compound) -AnnotationAssertion(Annotation(dcterms:source ) obo:IAO_0000115 "A chemical shift reference compound used for 21N spectra according to IUPAC recommendations.") +AnnotationAssertion(Annotation(dcterms:source ) obo:IAO_0000115 "A chemical shift reference compound used for 21Ne spectra according to IUPAC recommendations.") AnnotationAssertion(obo:IAO_0000233 ) AnnotationAssertion(dcterms:contributor ) AnnotationAssertion(dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime) -AnnotationAssertion(rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 21N spectra. The children of this class were manually asserted.") -AnnotationAssertion(rdfs:label "21N spectrum chemical shift reference compound"@en) +AnnotationAssertion(rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 21Ne spectra. The children of this class were manually asserted.") +AnnotationAssertion(rdfs:label "21Ne spectrum chemical shift reference compound"@en) SubClassOf( ) # Class: (17O spectrum chemical shift reference compound) @@ -6820,22 +6821,24 @@ SubClassOf( "Bruker WIN NMR format") SubClassOf( ) +# Class: (87Sr spectrum chemical shift reference compound) + +AnnotationAssertion(Annotation(dcterms:source ) obo:IAO_0000115 "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations.") +AnnotationAssertion(dcterms:contributor ) +AnnotationAssertion(dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime) +AnnotationAssertion(rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted.") +AnnotationAssertion(rdfs:label "87Sr spectrum chemical shift reference compound"@en) +SubClassOf( ) + # Class: obo:CHEBI_156265 (methanol-d4) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_156265 ) # Class: obo:CHEBI_16134 (ammonia) +SubClassOf(obo:CHEBI_16134 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_16134 ) -# Class: obo:CHEBI_16227 (pyridine) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_16227 ) - -# Class: obo:CHEBI_183318 (triphenylphosphine) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_183318 ) - # Class: obo:CHEBI_193038 (acetonitrile-d3) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_193038 ) @@ -6927,79 +6930,210 @@ SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_195173 ) -SubClassOf(Annotation(rdfs:comment "\"chemical shift calibration compound role\" class was added as a grouping super class for \"NMR chemical shift reference compound\" which was imported from CHEBI due to the lack of fine classification of NMR roles in CHEBI. The same applies for the upper class \"calibration compound\".") obo:CHEBI_228364 ) - -# Class: obo:CHEBI_228806 (3-(trimethylsilyl)propane-1-sulfonate) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_228806 ) +SubClassOf(Annotation(rdfs:comment "\"chemical shift calibration compound role\" class was added as a grouping super class for \"NMR chemical shift reference compound\" which was imported from CHEBI due to the lack of fine classification of NMR roles in CHEBI. The same applies for the super class \"NMR calibration compound role\".") Annotation(rdfs:isDefinedBy ) obo:CHEBI_228364 ) # Class: obo:CHEBI_229454 (yttrium nitrate) +SubClassOf(obo:CHEBI_229454 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_229454 ) # Class: obo:CHEBI_229455 (dimethylcadmium) +SubClassOf(obo:CHEBI_229455 ) +SubClassOf(obo:CHEBI_229455 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_229455 ) # Class: obo:CHEBI_229456 (xenon oxytetrafluoride) +SubClassOf(obo:CHEBI_229456 ) +SubClassOf(obo:CHEBI_229456 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_229456 ) # Class: obo:CHEBI_229457 (rhodium acetylacetonate) +SubClassOf(obo:CHEBI_229457 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_229457 ) # Class: obo:CHEBI_229458 (thallium(III) nitrate) +SubClassOf(obo:CHEBI_229458 ) +SubClassOf(obo:CHEBI_229458 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_229458 ) +# Class: obo:CHEBI_231495 (Boron trifluoride etherate) + +SubClassOf(obo:CHEBI_231495 ) +SubClassOf(obo:CHEBI_231495 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231495 ) + +# Class: obo:CHEBI_231498 (scandium nitrate) + +SubClassOf(obo:CHEBI_231498 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231498 ) + +# Class: obo:CHEBI_231499 (titanium tetrachloride) + +SubClassOf(obo:CHEBI_231499 ) +SubClassOf(obo:CHEBI_231499 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231499 ) + +# Class: obo:CHEBI_231502 (Potassium cobalticyanide) + +SubClassOf(obo:CHEBI_231502 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231502 ) + +# Class: obo:CHEBI_231503 (Cu(MeCN)4ClO4) + +SubClassOf(obo:CHEBI_231503 ) +SubClassOf(obo:CHEBI_231503 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231503 ) + +# Class: obo:CHEBI_231504 (zinc nitrate) + +SubClassOf(obo:CHEBI_231504 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231504 ) + +# Class: obo:CHEBI_231505 (gallium nitrate) + +SubClassOf(obo:CHEBI_231505 ) +SubClassOf(obo:CHEBI_231505 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231505 ) + +# Class: obo:CHEBI_231506 (tetramethylgermane) + +SubClassOf(obo:CHEBI_231506 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231506 ) + +# Class: obo:CHEBI_231507 (Sodium hexafluoroarsenate) + +SubClassOf(obo:CHEBI_231507 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231507 ) + +# Class: obo:CHEBI_231508 (Zirconocene dichloride) + +SubClassOf(obo:CHEBI_231508 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231508 ) + +# Class: obo:CHEBI_231509 (Ammonium pertechnetate) + +SubClassOf(obo:CHEBI_231509 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231509 ) + +# Class: obo:CHEBI_231510 (Potassium hexacyanoruthenate(ii)) + +SubClassOf(obo:CHEBI_231510 ) +SubClassOf(obo:CHEBI_231510 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231510 ) + +# Class: obo:CHEBI_231511 (Potassium hexachloropalladate(IV)) + +SubClassOf(obo:CHEBI_231511 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231511 ) + +# Class: obo:CHEBI_231512 (indium(III) nitrate) + +SubClassOf(obo:CHEBI_231512 ) +SubClassOf(obo:CHEBI_231512 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231512 ) + +# Class: obo:CHEBI_231513 (Kaliumhexachloroantimonat(V)) + +SubClassOf(obo:CHEBI_231513 ) +SubClassOf(obo:CHEBI_231513 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231513 ) + +# Class: obo:CHEBI_231514 (caesium nitrate) + +SubClassOf(obo:CHEBI_231514 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231514 ) + +# Class: obo:CHEBI_231515 (lanthanum trichloride) + +SubClassOf(obo:CHEBI_231515 ) +SubClassOf(obo:CHEBI_231515 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231515 ) + +# Class: obo:CHEBI_231529 (tetramethylsilane-d12) + +SubClassOf(obo:CHEBI_231529 ) + +# Class: obo:CHEBI_231536 (Potassium;tantalum(5+);hexachloride) + +SubClassOf(obo:CHEBI_231536 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231536 ) + +# Class: obo:CHEBI_231537 (Potassium perrhenate) + +SubClassOf(obo:CHEBI_231537 ) +SubClassOf(obo:CHEBI_231537 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231537 ) + +# Class: obo:CHEBI_231538 (Bismut(III)-nitrat) + +SubClassOf(obo:CHEBI_231538 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_231538 ) + # Class: obo:CHEBI_23367 (molecular entity) SubClassOf(obo:CHEBI_23367 obo:BFO_0000040) # Class: obo:CHEBI_26078 (phosphoric acid) +SubClassOf(obo:CHEBI_26078 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_26078 ) -# Class: obo:CHEBI_29228 (hydrogen fluoride) +# Class: obo:CHEBI_26710 (sodium chloride) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_29228 ) +SubClassOf(obo:CHEBI_26710 ) +SubClassOf(obo:CHEBI_26710 ) +SubClassOf(obo:CHEBI_26710 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_26710 ) # Class: obo:CHEBI_30183 (tetramethyllead) +SubClassOf(obo:CHEBI_30183 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_30183 ) -# Class: obo:CHEBI_30236 (difluorine) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_30236 ) - # Class: obo:CHEBI_30251 (pentacarbonyliron) +SubClassOf(obo:CHEBI_30251 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_30251 ) -# Class: obo:CHEBI_30420 (tetramethyltin) +# Class: obo:CHEBI_30372 (tetracarbonylnickel) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_30420 ) +SubClassOf(obo:CHEBI_30372 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_30372 ) -# Class: obo:CHEBI_30496 (sulfur hexafluoride) +# Class: obo:CHEBI_30420 (tetramethyltin) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_30496 ) +SubClassOf(obo:CHEBI_30420 ) +SubClassOf(obo:CHEBI_30420 ) +SubClassOf(obo:CHEBI_30420 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_30420 ) # Class: obo:CHEBI_30786 (dimethylmercury) +SubClassOf(obo:CHEBI_30786 ) +SubClassOf(obo:CHEBI_30786 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_30786 ) # Class: obo:CHEBI_32130 (silver(1+) nitrate) +SubClassOf(obo:CHEBI_32130 ) +SubClassOf(obo:CHEBI_32130 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_32130 ) -# Class: obo:CHEBI_32954 (sodium acetate) +# Class: obo:CHEBI_32588 (potassium chloride) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_32954 ) +SubClassOf(obo:CHEBI_32588 ) +SubClassOf(obo:CHEBI_32588 ) +SubClassOf(obo:CHEBI_32588 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_32588 ) -# Class: obo:CHEBI_33093 (boron trifluoride) +# Class: obo:CHEBI_3312 (calcium dichloride) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_33093 ) +SubClassOf(obo:CHEBI_3312 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_3312 ) # Class: obo:CHEBI_33232 (application) @@ -7013,137 +7147,156 @@ SubClassOf(obo:CHEBI_33250 obo:BFO_0000040) SubClassOf(obo:CHEBI_33252 obo:BFO_0000040) -# Class: obo:CHEBI_33681 (helium(0)) +# Class: obo:CHEBI_33310 (neon atom) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_33681 ) +SubClassOf(obo:CHEBI_33310 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_33310 ) -# Class: obo:CHEBI_34856 (morpholine) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_34856 ) - -# Class: obo:CHEBI_36601 (triphenylphosphane oxide) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_36601 ) - -# Class: obo:CHEBI_36810 ((trifluoromethyl)benzene) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_36810 ) - -# Class: obo:CHEBI_38472 (acetonitrile) +# Class: obo:CHEBI_33681 (helium(0)) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_38472 ) +SubClassOf(obo:CHEBI_33681 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_33681 ) -# Class: obo:CHEBI_38585 (1,4-difluorobenzene) +# Class: obo:CHEBI_36383 (strontium dichloride) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_38585 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_36383 ) +SubClassOf(obo:CHEBI_36383 ) # Class: obo:CHEBI_38589 (hexafluorobenzene) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_38589 ) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_38589 ) SubClassOf(obo:CHEBI_38589 ObjectSomeValuesFrom(obo:RO_0000087 obo:CHEBI_197449)) -# Class: obo:CHEBI_39429 (hexafluoroacetone) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_39429 ) - # Class: obo:CHEBI_41981 (dideuterium oxide) +SubClassOf(obo:CHEBI_41981 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_41981 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_41981 ) -# Class: obo:CHEBI_45892 (trifluoroacetic acid) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_45892 ) - # Class: obo:CHEBI_4610 (dimethylselenide) +SubClassOf(obo:CHEBI_4610 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_4610 ) # Class: obo:CHEBI_4613 (dimethyl telluride) +SubClassOf(obo:CHEBI_4613 ) +SubClassOf(obo:CHEBI_4613 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_4613 ) # Class: obo:CHEBI_46324 (trimethyl phosphate) +SubClassOf(obo:CHEBI_46324 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_46324 ) -# Class: obo:CHEBI_47032 (1,4-dioxane) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_47032 ) - # Class: obo:CHEBI_48236 (trichlorofluoromethane) +SubClassOf(obo:CHEBI_48236 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_48236 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_48236 ) -# Class: obo:CHEBI_51086 (chemical role) +# Class: obo:CHEBI_48607 (lithium chloride) -SubClassOf(obo:CHEBI_51086 obo:BFO_0000023) +SubClassOf(obo:CHEBI_48607 ) +SubClassOf(obo:CHEBI_48607 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_48607 ) + +# Class: obo:CHEBI_49696 (krypton atom) -# Class: obo:CHEBI_5115 (monofluorobenzene) +SubClassOf(obo:CHEBI_49696 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_49696 ) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_5115 ) +# Class: obo:CHEBI_51086 (chemical role) + +SubClassOf(obo:CHEBI_51086 obo:BFO_0000023) -# Class: obo:CHEBI_55317 (tetramethylammonium bromide) +# Class: obo:CHEBI_53473 (beryllium sulfate) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_55317 ) +SubClassOf(obo:CHEBI_53473 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_53473 ) # Class: obo:CHEBI_59606 (sodium hexachloroplatinate) +SubClassOf(obo:CHEBI_59606 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_59606 ) # Class: obo:CHEBI_59999 (chemical substance) SubClassOf(obo:CHEBI_59999 obo:BFO_0000040) -# Class: obo:CHEBI_63005 (sodium nitrate) +# Class: obo:CHEBI_63004 (sodium bromide) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_63005 ) +SubClassOf(obo:CHEBI_63004 ) +SubClassOf(obo:CHEBI_63004 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_63004 ) + +# Class: obo:CHEBI_63317 (barium chloride) + +SubClassOf(obo:CHEBI_63317 ) +SubClassOf(obo:CHEBI_63317 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_63317 ) # Class: obo:CHEBI_63940 (sodium tungstate) +SubClassOf(obo:CHEBI_63940 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_63940 ) -# Class: obo:CHEBI_66872 (potassium fluoride) +# Class: obo:CHEBI_75215 (sodium molybdate (anhydrous)) + +SubClassOf(obo:CHEBI_75215 ) +SubClassOf(obo:CHEBI_75215 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_75215 ) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_66872 ) +# Class: obo:CHEBI_75249 (potassium chromate) + +SubClassOf(obo:CHEBI_75249 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_75249 ) # Class: obo:CHEBI_77701 (nitromethane) +SubClassOf(obo:CHEBI_77701 ) +SubClassOf(obo:CHEBI_77701 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_77701 ) # Class: obo:CHEBI_78217 (acetone d6) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_78217 ) -# Class: obo:CHEBI_85361 (tetramethylsilane) +# Class: obo:CHEBI_78672 (rubidium chloride) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_85361 ) +SubClassOf(obo:CHEBI_78672 ) +SubClassOf(obo:CHEBI_78672 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_78672 ) -# Class: obo:CHEBI_85362 (3-(trimethylsilyl)propane-1-sulfonic acid) +# Class: obo:CHEBI_8346 (potassium iodide) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_85362 ) +SubClassOf(obo:CHEBI_8346 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_8346 ) -# Class: obo:CHEBI_85363 (sodium 3-(trimethylsilyl)propionate) +# Class: obo:CHEBI_85361 (tetramethylsilane) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_85363 ) +SubClassOf(obo:CHEBI_85361 ) +SubClassOf(obo:CHEBI_85361 ) +SubClassOf(obo:CHEBI_85361 ) +SubClassOf(obo:CHEBI_85361 ) +SubClassOf(obo:CHEBI_85361 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_85361 ) -# Class: obo:CHEBI_85364 (ammonium bromide) +# Class: obo:CHEBI_85362 (3-(trimethylsilyl)propane-1-sulfonic acid) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_85364 ) +SubClassOf(obo:CHEBI_85362 ) +SubClassOf(obo:CHEBI_85362 ) +SubClassOf(obo:CHEBI_85362 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_85362 ) # Class: obo:CHEBI_85365 (deuterated chloroform) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_85365 ) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_85365 ) - -# Class: obo:CHEBI_85487 (3-(trimethylsilyl)propionic acid) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_85487 ) # Class: obo:CHEBI_88215 (osmium tetroxide) +SubClassOf(obo:CHEBI_88215 ) +SubClassOf(obo:CHEBI_88215 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_88215 )