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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:(+)-beta-thujone
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Accession:CHEBI:50045 term browser browse the term
Definition:A beta-thujone that has formula C10H16O.
Synonyms:exact_synonym: (1S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one;   (1S,4S,5R)-thujan-3-one
 related_synonym: (+)-3-thujone;   (+)-isothujone;   (1S,4S,5R)-(+)-3-thujanone;   (1S,4S,5R)-1-isopropyl-4-methylbicyclo[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/t7-,8+,10-/m0/s1;   InChIKey=USMNOWBWPHYOEA-XKSSXDPKSA-N;   SMILES=[H][C@]12C[C@]1(CC(=O)[C@H]2C)C(C)C;   [1S-(1alpha,4beta,5alpha)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one;   d-beta-thujone;   d-isothujone;   trans-thujone
 xref: Beilstein:2041871;   CAS:471-15-8
 xref_mesh: MESH:C005790
 cyclic_relationship: is_enantiomer_of CHEBI:50046


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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
                  beta-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
                                              beta-thujone 0
                                                (+)-beta-thujone 0
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