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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:3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanal
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Accession:CHEBI:93680 term browser browse the term
Definition:An alkylbenzene that has formula C19H30O2.
Synonyms:related_synonym: Formula=C19H30O2;   InChI=1S/C19H30O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,12,21H,11H2,1-8H3;   InChIKey=XGWATTXMMMANFJ-UHFFFAOYSA-N;   SMILES=CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)C=O
 xref: LINCS:LSM-4158


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      chemical role 24242
        environmental contaminant 20861
          benzene 6134
            alkylbenzene 3635
              3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanal 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    main group molecular entity 25834
                      s-block molecular entity 25166
                        hydrogen molecular entity 24765
                          hydrides 22965
                            organic hydride 21924
                              organic fundamental parent 21924
                                hydrocarbon 21350
                                  cyclic hydrocarbon 19996
                                    monocyclic hydrocarbon 6489
                                      annulene 6132
                                        aromatic annulene 6132
                                          benzene 6134
                                            alkylbenzene 3635
                                              3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanal 0
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