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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:3-hexanone
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Accession:CHEBI:89891 term browser browse the term
Definition:A dialkyl ketone that is hexane in which the two methylene protons at position 3 have been replaced by an oxo group.
Synonyms:related_synonym: 3-Oxohexane;   Ethyl n-propyl ketone;   Ethyl propyl ketone;   Formula=C6H12O;   InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3;   InChIKey=PFCHFHIRKBAQGU-UHFFFAOYSA-N;   SMILES=O=C(CCC)CC;   hexan-3-one
 xref: CAS:589-38-8;   HMDB:HMDB0000753;   MetaCyc:CPD-13223;   PMID:18102909;   PMID:21208953;   PMID:21970810;   PMID:22074559;   PMID:22482743;   PMID:23314364;   PMID:23832658;   PMID:23955060;   PMID:24023812;   PMID:24817270;   PMID:26476310;   PMID:27241792;   PMID:5556886;   Reaxys:1738025;   Wikipedia:3-Hexanone

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  CHEBI ontology 0
    role 0
      biological role 0
        insect attractant 0
          3-hexanone 0
Path 2
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  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
                                  carbonyl compound 0
                                    ketone 0
                                      dialkyl ketone 0
                                        3-hexanone 0
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