{
  "iri" : "http://purl.obolibrary.org/obo/CHEBI_83518",
  "lang" : "en",
  "description" : [ "A 1,2-thiazole that is 1,2-thiazol-3(2H)-one substituted by chloro groups at positions 4 and 5 and an octyl group at position 2. It is used as a fungicide." ],
  "synonyms" : [ "4,5-dichloro-2-octyl-1,2-thiazol-3(2H)-one", "DCOIT", "Kathon 930", "dichlorooctylisothiazolinone" ],
  "annotation" : {
    "charge" : [ "0" ],
    "formula" : [ "C11H17Cl2NOS" ],
    "has_dbxref" : [ "CAS:64359-81-5", "PMID:24850171", "Patent:NZ524752", "Patent:US2010256204", "Reaxys:1110842" ],
    "has_obo_namespace" : [ "chebi_ontology" ],
    "id" : [ "CHEBI:83518" ],
    "inchi" : [ "InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3" ],
    "inchikey" : [ "PORQOHRXAJJKGK-UHFFFAOYSA-N" ],
    "mass" : [ "282.23000" ],
    "monoisotopicmass" : [ "281.04079" ],
    "smiles" : [ "CCCCCCCCn1sc(Cl)c(Cl)c1=O" ]
  },
  "label" : "4,5-dichloro-2-n-octyl-3(2H)-isothiazolone",
  "ontology_name" : "chebi",
  "ontology_prefix" : "CHEBI",
  "ontology_iri" : "http://purl.obolibrary.org/obo/chebi.owl",
  "is_obsolete" : false,
  "term_replaced_by" : null,
  "is_defining_ontology" : true,
  "has_children" : false,
  "is_root" : false,
  "short_form" : "CHEBI_83518",
  "obo_id" : "CHEBI:83518",
  "in_subset" : [ "3_STAR" ],
  "obo_definition_citation" : null,
  "obo_xref" : [ {
    "database" : "CAS",
    "id" : "64359-81-5",
    "description" : "ChemIDplus",
    "url" : null
  }, {
    "database" : "PMID",
    "id" : "24850171",
    "description" : "Europe PMC",
    "url" : "http://www.ncbi.nlm.nih.gov/pubmed/24850171"
  }, {
    "database" : "Patent",
    "id" : "NZ524752",
    "description" : null,
    "url" : "https://www.google.com/patents/NZ524752"
  }, {
    "database" : "Patent",
    "id" : "US2010256204",
    "description" : null,
    "url" : "https://www.google.com/patents/US2010256204"
  }, {
    "database" : "Reaxys",
    "id" : "1110842",
    "description" : "Reaxys",
    "url" : null
  } ],
  "obo_synonym" : [ {
    "name" : "4,5-dichloro-2-octyl-1,2-thiazol-3(2H)-one",
    "scope" : "hasExactSynonym",
    "type" : "IUPAC NAME",
    "xrefs" : [ {
      "database" : null,
      "id" : "IUPAC",
      "description" : null,
      "url" : null
    } ]
  }, {
    "name" : "DCOIT",
    "scope" : "hasRelatedSynonym",
    "type" : null,
    "xrefs" : [ {
      "database" : null,
      "id" : "ChEBI",
      "description" : null,
      "url" : null
    } ]
  }, {
    "name" : "Kathon 930",
    "scope" : "hasRelatedSynonym",
    "type" : null,
    "xrefs" : [ {
      "database" : null,
      "id" : "ChemIDplus",
      "description" : null,
      "url" : null
    } ]
  }, {
    "name" : "dichlorooctylisothiazolinone",
    "scope" : "hasRelatedSynonym",
    "type" : null,
    "xrefs" : [ {
      "database" : null,
      "id" : "ChEBI",
      "description" : null,
      "url" : null
    } ]
  } ],
  "is_preferred_root" : false,
  "_links" : {
    "self" : {
      "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_83518?lang=en"
    },
    "parents" : {
      "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_83518/parents"
    },
    "ancestors" : {
      "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_83518/ancestors"
    },
    "hierarchicalParents" : {
      "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_83518/hierarchicalParents"
    },
    "hierarchicalAncestors" : {
      "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_83518/hierarchicalAncestors"
    },
    "jstree" : {
      "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_83518/jstree"
    },
    "graph" : {
      "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_83518/graph"
    },
    "has_role" : {
      "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_83518/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FRO_0000087"
    }
  }
}