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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:sec-butylbenzene
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Accession:CHEBI:35097 term browser browse the term
Definition:An alkylbenzene that is benzene substituted by a butan-2-yl group.
Synonyms:related_synonym: (1-Methylpropyl)benzene;   2-Phenylbutane;   Formula=C10H14;   InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3;   InChIKey=ZJMWRROPUADPEA-UHFFFAOYSA-N;   SMILES=CCC(C)c1ccccc1;   s-butylbenzene;   secondary butylbenzene
 xref: Beilstein:1903902;   CAS:135-98-8;   Gmelin:261109;   KEGG:C14142;   PMID:5073722;   Patent:US2010317896;   Patent:US2011152577;   Reaxys:1903902


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      chemical role 0
        environmental contaminant 0
          benzene 0
            alkylbenzene 0
              sec-butylbenzene 0
                (R)-sec-butylbenzene 0
                (S)-sec-butylbenzene 0
Path 2
Term Annotations click to browse term
  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
                                              sec-butylbenzene 0
                                                (R)-sec-butylbenzene 0
                                                (S)-sec-butylbenzene 0
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