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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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.

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Accession:CHEBI:43261 term browser browse the term
Definition:An alkylbenzene that is benzene carrying an isobutyl substituent.
Synonyms:related_synonym: (2-methylpropyl)benzene;   1-phenyl-2-methylpropane;   2-methyl-1-phenylpropane;   Formula=C10H14;   InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3;   InChIKey=KXUHSQYYJYAXGZ-UHFFFAOYSA-N;   SMILES=CC(C)Cc1ccccc1
 alt_id: CHEBI:33181;   CHEBI:43255
 xref: Beilstein:1852218;   CAS:538-93-2;   DrugBank:DB04078;   Gmelin:261101;   PDBeChem:I4B;   PMID:19928894;   PMID:23534645;   Reaxys:1852218

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Path 1
Term Annotations click to browse term
  CHEBI ontology 19781
    role 19726
      chemical role 19270
        environmental contaminant 18600
          benzene 5651
            alkylbenzene 3368
              isobutylbenzene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    main group molecular entity 19669
                      s-block molecular entity 19434
                        hydrogen molecular entity 19429
                          hydrides 18757
                            organic hydride 18355
                              organic fundamental parent 18355
                                hydrocarbon 18074
                                  cyclic hydrocarbon 17090
                                    monocyclic hydrocarbon 5826
                                      annulene 5651
                                        aromatic annulene 5651
                                          benzene 5651
                                            alkylbenzene 3368
                                              isobutylbenzene 0
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