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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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  CHEBI ontology 0
    role 0
      chemical role 0
        environmental contaminant 0
          benzene 0
            alkylbenzene 0
              3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanal 0
Path 2
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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
                                              3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanal 0
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