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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:4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
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Accession:CHEBI:78315 term browser browse the term
Definition:A carbobicyclic compound that is bicyclo[3.1.1]heptane which is substituted by an oxo group at position 2 and by methyl groups at positions 4, 6 and 6, and which contains a double bond between positions 3 and 4.
Synonyms:related_synonym: Formula=C10H14O;   InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3;   InChIKey=DCSCXTJOXBUFGB-UHFFFAOYSA-N;   SMILES=CC1=CC(=O)C2CC1C2(C)C
 xref: BPDB:2561;   CAS:18309-32-5;   KEGG:C09913;   KNApSAcK:C00003067


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5066
    chemical entity 5066
      molecular entity 5065
        polyatomic entity 5045
          molecule 4887
            cyclic compound 4825
              bicyclic compound 153
                carbobicyclic compound 17
                  4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one 0
                    (R)-(+)-verbenone 0
                    (S)-(-)-verbenone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    p-block element atom 5023
                      carbon group element atom 4940
                        carbon atom 4939
                          organic molecular entity 4939
                            heteroorganic entity 4779
                              organochalcogen compound 4741
                                organooxygen compound 4703
                                  carbonyl compound 4654
                                    ketone 4357
                                      alpha,beta-unsaturated ketone 4323
                                        enone 4323
                                          4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one 0
                                            (R)-(+)-verbenone 0
                                            (S)-(-)-verbenone 0
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