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ID	http://purl.obolibrary.org/obo/CHEBI_4791 http://purl.obolibrary.org/obo/CHEBI_4791 https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_4791 Loading
Preferred name	endosulfan
Synonyms	Benzoepin 1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite 1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite Endosulfan 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide
Definitions	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_0000053	http://purl.obolibrary.org/obo/CHEBI_33286 http://purl.obolibrary.org/obo/CHEBI_77853 http://purl.obolibrary.org/obo/CHEBI_22153 http://purl.obolibrary.org/obo/CHEBI_38999
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl
obo_purl:charge	0
obo_purl:inchikey	RDYMFSUJUZBWLH-UHFFFAOYSA-N
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_33286 http://purl.obolibrary.org/obo/CHEBI_77853 http://purl.obolibrary.org/obo/CHEBI_22153 http://purl.obolibrary.org/obo/CHEBI_38999
oboinowl_gen:hasDbXref	Patent:CN102601109 CAS:115-29-7 Wikipedia:Endosulfan Patent:ZW5287 PPDB:264 KEGG:C11090 Beilstein:1262315 Patent:CN103074276 Reaxys:1262315
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.
skos:notation	CHEBI:4791
oboinowl_gen:hasExactSynonym	Endosulfan 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide
obo_purl:mass	406.92434
obo_purl: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
obo_purl:formula	C9H6Cl6O3S
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	Benzoepin 1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite 1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite
oboinowl_gen:id	CHEBI:4791
rdfs:label	endosulfan
obo_purl:monoisotopicmass	403.81688
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_39089 http://purl.obolibrary.org/obo/CHEBI_23457

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