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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 19775
    role 19722
      chemical role 19271
        environmental contaminant 18612
          benzene 5656
            alkylbenzene 3372
              sec-butylbenzene 0
                (S)-sec-butylbenzene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19775
    subatomic particle 19774
      composite particle 19774
        hadron 19774
          baryon 19774
            nucleon 19774
              atomic nucleus 19774
                atom 19774
                  main group element atom 19665
                    main group molecular entity 19665
                      s-block molecular entity 19432
                        hydrogen molecular entity 19427
                          hydrides 18757
                            organic hydride 18361
                              organic fundamental parent 18361
                                hydrocarbon 18073
                                  cyclic hydrocarbon 17088
                                    monocyclic hydrocarbon 5831
                                      annulene 5656
                                        aromatic annulene 5656
                                          benzene 5656
                                            alkylbenzene 3372
                                              sec-butylbenzene 0
                                                (S)-sec-butylbenzene 0
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