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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:p-tert-Amylphenol
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Accession:CHEBI:35096 term browser browse the term
Definition:An alkylbenzene that has formula C11H16O.
Synonyms:related_synonym: 4-(1,1,3,3-Tetramethylbutyl)phenol;   4-(1,1,3,3-Tetramethylbutyl)phenol (ACD/Name 4.0);   4-(2-methylbutan-2-yl)phenol;   4-Tert-Octylphenol;   4-t-Amylphenol;   4-tert-Pentylphenol;   Formula=C11H16O;   InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3;   InChIKey=NRZWYNLTFLDQQX-UHFFFAOYSA-N;   Octylphenol pt;   Para-tert-Octylphenol;   SMILES=CCC(C)(C)c1ccc(O)cc1;   Tert-Octylphenol, flaked;   p-(1,1,3,3-Tetramethylbutyl)phenol;   p-(Tert-octyl)-Phenol;   p-Octylphenol;   p-Octylphenol (VAN);   p-Terc.oktylfenol;   p-Terc.oktylfenol(Czech);   p-tert-Octylphenol
 xref: CAS:140-66-9;   CAS:80-46-6;   HMDB:HMDB0013825;   KEGG:C14226
 xref_mesh: MESH:C019566


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    role 0
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        environmental contaminant 0
          benzene 0
            alkylbenzene 0
              p-tert-Amylphenol 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
                                  cyclic hydrocarbon 0
                                    monocyclic hydrocarbon 0
                                      annulene 0
                                        aromatic annulene 0
                                          benzene 0
                                            alkylbenzene 0
                                              p-tert-Amylphenol 0
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