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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-t-Butylbenzoic acid
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Accession:CHEBI:34443 term browser browse the term
Definition:An alkylbenzene that has formula C11H14O2.
Synonyms:related_synonym: Formula=C11H14O2;   InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13);   InChIKey=KDVYCTOWXSLNNI-UHFFFAOYSA-N;   SMILES=CC(C)(C)c1ccc(cc1)C(O)=O;   p-tert-Butylbenzoic acid
 xref: CAS:98-73-7;   KEGG:C14535


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19869
      chemical role 19498
        environmental contaminant 18882
          benzene 5821
            alkylbenzene 3540
              4-t-Butylbenzoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    main group molecular entity 19835
                      s-block molecular entity 19669
                        hydrogen molecular entity 19651
                          hydrides 19162
                            organic hydride 18712
                              organic fundamental parent 18712
                                hydrocarbon 18460
                                  cyclic hydrocarbon 17248
                                    monocyclic hydrocarbon 6168
                                      annulene 5821
                                        aromatic annulene 5821
                                          benzene 5821
                                            alkylbenzene 3540
                                              4-t-Butylbenzoic acid 0
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