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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:2,4,6-trimethylbenzoic acid
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Accession:CHEBI:64830 term browser browse the term
Definition:A trimethylbenzoic acid in which the three methyl substituents are located at positions 2, 4 and 6.
Synonyms:related_synonym: Formula=C10H12O2;   InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12);   InChIKey=FFFIRKXTFQCCKJ-UHFFFAOYSA-N;   Mesitoic acid;   Mesitylenecarboxylic acid;   SMILES=Cc1cc(C)c(C(O)=O)c(C)c1;   beta-Isodurylic acid
 xref: CAS:480-63-7;   Reaxys:1866187
 cyclic_relationship: is_conjugate_acid_of CHEBI:64832


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        antimicrobial agent 18125
          antimicrobial food preservative 12497
            benzoic acid 5327
              2,4,6-trimethylbenzoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbon oxoacid 18613
                                    carboxylic acid 18610
                                      aromatic carboxylic acid 12594
                                        benzoic acids 12571
                                          benzoic acid 5327
                                            2,4,6-trimethylbenzoic acid 0
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