@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns0: <http://purl.obolibrary.org/obo/chebi#> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
@prefix ns2: <InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/> .
obo_purl:CHEBI_4791
metadata_def:mappingLoom "endosulfan" ;
metadata_def:mappingSameURI obo_purl:CHEBI_4791 ;
metadata_def:prefLabel "endosulfan" ;
obo_purl:IAO_0000115 "A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10." ;
obo_purl:RO_0000087 obo_purl:CHEBI_22153, obo_purl:CHEBI_33286, obo_purl:CHEBI_38999, obo_purl:CHEBI_77853 ;
ns1:charge "0" ;
ns1:formula "C9H6Cl6O3S" ;
ns1:inchi "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2" ;
ns1:inchikey "RDYMFSUJUZBWLH-UHFFFAOYSA-N" ;
ns1:mass "406.92434" ;
ns1:monoisotopicmass "403.81688" ;
ns1:smiles "ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl" ;
oboinowl_gen:hasDbXref "Beilstein:1262315", "CAS:115-29-7", "KEGG:C11090", "PPDB:264", "Patent:CN102601109", "Patent:CN103074276", "Patent:ZW5287", "Reaxys:1262315", "Wikipedia:Endosulfan" ;
oboinowl_gen:hasExactSynonym "6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide", "Endosulfan" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite", "1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite", "1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide", "Benzoepin", "alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite" ;
oboinowl_gen:id "CHEBI:4791" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "endosulfan" ;
rdfs:subClassOf obo_purl:CHEBI_23457, obo_purl:CHEBI_39089 ;
skos:notation "CHEBI:4791" .
obo_purl:ECTO_9000720
obo_purl:RO_0002309 obo_purl:CHEBI_4791 .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns0: <http://purl.obolibrary.org/obo/chebi#> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
@prefix ns2: <InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/> .
obo_purl:CHEBI_4791
metadata_def:mappingLoom "endosulfan" ;
metadata_def:mappingSameURI obo_purl:CHEBI_4791 ;
metadata_def:prefLabel "endosulfan" ;
obo_purl:IAO_0000115 "A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10." ;
obo_purl:RO_0000087 obo_purl:CHEBI_22153, obo_purl:CHEBI_33286, obo_purl:CHEBI_38999, obo_purl:CHEBI_77853 ;
ns1:charge "0" ;
ns1:formula "C9H6Cl6O3S" ;
ns1:inchi "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2" ;
ns1:inchikey "RDYMFSUJUZBWLH-UHFFFAOYSA-N" ;
ns1:mass "406.92434" ;
ns1:monoisotopicmass "403.81688" ;
ns1:smiles "ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl" ;
oboinowl_gen:hasDbXref "Beilstein:1262315", "CAS:115-29-7", "KEGG:C11090", "PPDB:264", "Patent:CN102601109", "Patent:CN103074276", "Patent:ZW5287", "Reaxys:1262315", "Wikipedia:Endosulfan" ;
oboinowl_gen:hasExactSynonym "6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide", "Endosulfan" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite", "1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite", "1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide", "Benzoepin", "alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite" ;
oboinowl_gen:id "CHEBI:4791" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "endosulfan" ;
rdfs:subClassOf obo_purl:CHEBI_23457, obo_purl:CHEBI_39089 ;
skos:notation "CHEBI:4791" .
obo_purl:ECTO_9000720
obo_purl:RO_0002309 obo_purl:CHEBI_4791 .