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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:alpha-bergamotenoic acid
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Accession:CHEBI:131505 term browser browse the term
Definition:A sesquiterpenoid that is alpha-bergamotene in which one of the methyl groups attached to the exocyclic C=C double bond has been oxidised to form the corresponding carboxylic acid.
Synonyms:exact_synonym: (2Z)-5-(2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl)-2-methylpent-2-enoic acid
 related_synonym: (Z)-alpha-bergamotenoic acid;   Formula=C15H22O2;   InChI=1S/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5-6,12-13H,4,7-9H2,1-3H3,(H,16,17)/b11-5-;   InChIKey=CTORLPNPQPAKGI-WZUFQYTHSA-N;   SMILES=C1=C(C2C(C(C1)C2)(C)CC/C=C(\\C(O)=O)/C)C
 xref: CAS:124439-27-6;   Chemspider:35014137;   HMDB:HMDB0036392


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  CHEBI ontology 0
    role 0
      application 0
        pesticide 0
          insecticide 0
            alpha-bergamotenoic acid 0
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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
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  olefin 0
                                    cyclic olefin 0
                                      polycyclic olefin 0
                                        alpha-bergamotene 0
                                          alpha-bergamotenoic acid 0
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