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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:octyl acetate
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Accession:CHEBI:87495 term browser browse the term
Definition:The acetate ester of octan-1-ol.
Synonyms:related_synonym: Caprylyl acetate;   Formula=C10H20O2;   InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3;   InChIKey=YLYBTZIQSIBWLI-UHFFFAOYSA-N;   Octyl ethanoate;   SMILES=CCCCCCCCOC(C)=O;   n-Octanyl acetate
 xref: CAS:112-14-1;   HMDB:HMDB0038602;   LIPID_MAPS_instance:LMFA07010197;   PMID:24697288;   PMID:26058155;   Reaxys:1754554;   Wikipedia:Octyl_acetate

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Path 1
Term Annotations click to browse term
  CHEBI ontology 19817
    role 19767
      biological role 19767
        xenobiotic 18424
          octane 2251
            octanol 6
              octan-1-ol 6
                octyl acetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19817
    subatomic particle 19815
      composite particle 19815
        hadron 19815
          baryon 19815
            nucleon 19815
              atomic nucleus 19815
                atom 19815
                  main group element atom 19705
                    p-block element atom 19705
                      carbon group element atom 19614
                        carbon atom 19603
                          organic molecular entity 19603
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18435
                                    carbonyl compound 18435
                                      carboxylic acid 18113
                                        monocarboxylic acid 17485
                                          acetic acid 10824
                                            acetate ester 3813
                                              octyl acetate 0
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