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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:octhilinone
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Accession:CHEBI:81936 term browser browse the term
Definition:A member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union.
Synonyms:exact_synonym: 2-octyl-1,2-thiazol-3(2H)-one
 related_synonym: 2-Octyl-3(2H)-isothiazolone;   2-Octyl-3-isothiazolinone;   2-Octyl-3-isothiazolone;   2-Octyl-3-isothioazolone;   2-Octyl-4-isothiazolin-3-one;   2-n-Octyl-4-isothiazolin-3-one;   2-octyl-2H-isothiazol-3-one;   Formula=C11H19NOS;   InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3;   InChIKey=JPMIIZHYYWMHDT-UHFFFAOYSA-N;   Octyl-3(2H)-isothiazolone;   Octyl-4-isothiazol-3-one;   SMILES=CCCCCCCCn1sccc1=O
 xref: AGR:IND87046906;   CAS:26530-20-1;   KEGG:C18752
 xref_mesh: MESH:C035331
 xref: PMID:20960358;   PMID:23182288;   PPDB:489;   Pesticides:octhilinone;   Reaxys:1211137



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  CHEBI ontology 501
    role 501
      biological role 501
        xenobiotic 41
          octhilinone 0
Path 2
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  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            organic molecule 473
                              organic cyclic compound 456
                                organic heterocyclic compound 419
                                  heteroarene 199
                                    monocyclic heteroarene 173
                                      azole 173
                                        thiazoles 158
                                          1,2-thiazoles 0
                                            octhilinone 0
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