ECTO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_5691 http://purl.obolibrary.org/obo/CHEBI_5691 https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_5691 Loading
Preferred name	Hexachloro-1,3-butadiene
Synonyms	Hexachloro-1,3-butadiene HCBD Hexachlorobutadiene

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#2_STAR
obo_purl:smiles	ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl
obo_purl:charge	0
obo_purl:inchikey	RWNKSTSCBHKHTB-UHFFFAOYSA-N
oboinowl_gen:hasDbXref	KEGG:C11091 CAS:87-68-3
skos:notation	CHEBI:5691
oboinowl_gen:hasExactSynonym	Hexachloro-1,3-butadiene
obo_purl:mass	260.761
obo_purl:inchi	InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10
obo_purl:formula	C4Cl6
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	HCBD Hexachlorobutadiene
oboinowl_gen:id	CHEBI:5691
rdfs:label	Hexachloro-1,3-butadiene
obo_purl:monoisotopicmass	257.81312
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_36683

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