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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:hexyl hexanoate
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Accession:CHEBI:156492 term browser browse the term
Definition:A hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with hexan-1-ol. It is a constituent found in passion fruit, apples, strawberries and wine.
Synonyms:related_synonym: Formula=C12H24O2;   InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3;   InChIKey=NCDCLPBOMHPFCV-UHFFFAOYSA-N;   SMILES=CCCCCCOC(=O)CCCCC;   capryl caproate;   hexanoic acid hexyl ester;   hexyl caproate;   hexyl hexoate;   n-hexyl caproate;   n-hexyl hexanoate;   n-hexyl n-hexanoate
 xref: AGR:IND605917866;   AGR:IND606786375;   CAS:6378-65-0;   FooDB:FDB011707;   HMDB:HMDB0033619;   LIPID_MAPS_instance:LMFA07010438;   PMID:19691320;   PMID:24661745;   PMID:29777752;   PMID:30761106;   PMID:31253294;   PMID:31892247;   PMID:32036891;   PMID:32545160;   PMID:32781227;   Reaxys:1762037

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        fragrance 0
          hexyl hexanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          fatty acid derivative 0
                                            fatty alcohol 0
                                              medium-chain fatty alcohol 0
                                                hexanol 0
                                                  hexan-1-ol 0
                                                    hexyl hexanoate 0
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