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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 21746
    role 21724
      chemical role 20849
        environmental contaminant 19357
          benzene 5717
            alkylbenzene 3383
              sec-butylbenzene 0
                (R)-sec-butylbenzene 0
                (S)-sec-butylbenzene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21746
    subatomic particle 21732
      composite particle 21732
        hadron 21732
          baryon 21732
            nucleon 21732
              atomic nucleus 21732
                atom 21732
                  main group element atom 21647
                    main group molecular entity 21647
                      s-block molecular entity 21180
                        hydrogen molecular entity 21117
                          hydrides 20363
                            organic hydride 19898
                              organic fundamental parent 19898
                                hydrocarbon 19745
                                  cyclic hydrocarbon 17894
                                    monocyclic hydrocarbon 5889
                                      annulene 5717
                                        aromatic annulene 5717
                                          benzene 5717
                                            alkylbenzene 3383
                                              sec-butylbenzene 0
                                                (R)-sec-butylbenzene 0
                                                (S)-sec-butylbenzene 0
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