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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:(S)-sec-butylbenzene
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Accession:CHEBI:39014 term browser browse the term
Definition:A sec-butylbenzene that has formula C10H14.
Synonyms:exact_synonym: [(1S)-1-methylpropyl]benzene
 related_synonym: (S)-(1-methylpropyl)-benzene;   Formula=C10H14;   InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1;   InChIKey=ZJMWRROPUADPEA-VIFPVBQESA-N;   SMILES=CC[C@H](C)c1ccccc1
 xref: Beilstein:2410138;   Beilstein:4655611;   CAS:5787-28-0
 cyclic_relationship: is_enantiomer_of CHEBI:39013



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      chemical role 19445
        environmental contaminant 18850
          benzene 5795
            alkylbenzene 3506
              sec-butylbenzene 0
                (S)-sec-butylbenzene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    main group molecular entity 19782
                      s-block molecular entity 19620
                        hydrogen molecular entity 19607
                          hydrides 19105
                            organic hydride 18665
                              organic fundamental parent 18665
                                hydrocarbon 18401
                                  cyclic hydrocarbon 17223
                                    monocyclic hydrocarbon 6144
                                      annulene 5795
                                        aromatic annulene 5795
                                          benzene 5795
                                            alkylbenzene 3506
                                              sec-butylbenzene 0
                                                (S)-sec-butylbenzene 0
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