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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:butyl hexanoate
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Accession:CHEBI:89561 term browser browse the term
Definition:A hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with butan-1-ol. It is a volatile compound found in apples and peaches.
Synonyms:related_synonym: Formula=C10H20O2;   InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3;   InChIKey=RPRPDTXKGSIXMD-UHFFFAOYSA-N;   SMILES=CCCCCC(=O)OCCCC;   butyl caproate;   butyl caprylate;   butyl ester of hexanoic acid;   hexanoic acid butyl ester;   n-butyl caproate;   n-butyl hexanoate;   n-butyl n-hexanoate;   n-caproic acid n-butyl ester
 xref: AGR:IND43667872;   AGR:IND605627539;   CAS:626-82-4;   FooDB:FDB019923;   HMDB:HMDB0040211;   LIPID_MAPS_instance:LMFA07010436;   PMID:17314143;   PMID:196912320;   PMID:20718292;   PMID:24661745;   PMID:25268327;   PMID:26609640;   PMID:27664650;   PMID:29923080;   PMID:29964116;   PMID:30387866;   PMID:31129216;   PMID:31837224;   Reaxys:1754426

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Term Annotations click to browse term
  CHEBI ontology 2
    role 2
      biological role 2
        insect attractant 0
          butyl hexanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          fatty acid derivative 0
                                            fatty alcohol 0
                                              primary fatty alcohol 0
                                                short-chain primary fatty alcohol 0
                                                  butan-1-ol 0
                                                    butyl hexanoate 0
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