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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:thujone
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Accession:CHEBI:50040 term browser browse the term
Definition:A thujane monoterpenoid that is thujane substituted by an oxo group at position 3.
Synonyms:exact_synonym: thujan-3-one
 related_synonym: 3-thujanone;   4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one;   Formula=C10H16O;   InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3;   InChIKey=USMNOWBWPHYOEA-UHFFFAOYSA-N;   SMILES=CC(C)C12CC1C(C)C(=O)C2
 xref: Beilstein:1860055;   CAS:1125-12-8;   HMDB:HMDB0041631
 xref_mesh: MESH:C005790
 xref: Wikipedia:Thujone


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            eukaryotic metabolite 0
              plant metabolite 0
                thujone 0
                  alpha-thujone + 0
                  beta-thujone + 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
                                  carbonyl compound 0
                                    ketone 0
                                      cyclic ketone 0
                                        alicyclic ketone 0
                                          cyclic terpene ketone 0
                                            thujone 0
                                              alpha-thujone + 0
                                              beta-thujone + 0
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