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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:4,6,8-trimethylazulene
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Accession:CHEBI:87304 term browser browse the term
Definition:A member of the class of azulenes that is azulene substituted by methyl groups at positions 4, 6 and 8 respectively.
Synonyms:related_synonym: Formula=C13H14;   InChI=1S/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3;   InChIKey=RUNBRXWUHPOTOO-UHFFFAOYSA-N;   SMILES=Cc1cc(C)c2cccc2c(C)c1
 xref: CAS:941-81-1;   Reaxys:2041542

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  CHEBI ontology 2
    role 2
      biological role 2
        biochemical role 2
          metabolite 2
            4,6,8-trimethylazulene 0
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  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    main group molecular entity 2
                      s-block molecular entity 1
                        hydrogen molecular entity 1
                          hydrides 1
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  cyclic hydrocarbon 0
                                    arene 0
                                      polycyclic arene 0
                                        ortho-fused polycyclic arene 0
                                          ortho-fused bicyclic arene 0
                                            azulene 0
                                              4,6,8-trimethylazulene 0
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