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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:ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate
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Accession:CHEBI:48665 term browser browse the term
Definition:A biphenylyl carboxylate ester that has formula C27H27F3O3.
Synonyms:exact_synonym: ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]pentanoate
 related_synonym: 2-(5-benzyloxy-4'-trifluoromethyl-biphenyl-3-yl)-pentanoic acid ethyl ester;   Formula=C27H27F3O3;   InChI=1S/C27H27F3O3/c1-3-8-25(26(31)32-4-2)22-15-21(20-11-13-23(14-12-20)27(28,29)30)16-24(17-22)33-18-19-9-6-5-7-10-19/h5-7,9-17,25H,3-4,8,18H2,1-2H3;   InChIKey=FPNCIWGMSIVXLX-UHFFFAOYSA-N;   SMILES=CCCC(C(=O)OCC)c1cc(OCc2ccccc2)cc(c1)-c1ccc(cc1)C(F)(F)F
 xref: Patent:EP1849762


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Term Annotations click to browse term
  CHEBI ontology 19932
    role 19904
      chemical role 19529
        antioxidant 16169
          benzyl alcohol 442
            benzyloxy group 0
              ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19932
    subatomic particle 19930
      composite particle 19930
        hadron 19930
          baryon 19930
            nucleon 19930
              atomic nucleus 19930
                atom 19930
                  main group element atom 19876
                    main group molecular entity 19876
                      s-block molecular entity 19705
                        hydrogen molecular entity 19686
                          hydrides 19179
                            organic hydride 18717
                              organic fundamental parent 18717
                                hydrocarbon 18457
                                  halohydrocarbon 15874
                                    haloalkane 12902
                                      fluoroalkane 9221
                                        fluoromethanes 6768
                                          tetrafluoromethane 6768
                                            trifluoromethyl group 6768
                                              (trifluoromethyl)benzenes 6768
                                                ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate 0
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