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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:oleocanthal
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Accession:CHEBI:85673 term browser browse the term
Definition:A carboxylic ester that is the 2-(p-hydroxyphenyl)ethyl ester of (3S)-4-formyl-3-(2-oxoethyl)hex-4-enoic acid. Oleocanthal is found in olive oil but it is not clear whether the natural product is a mixture of E/Z isomers or a single isomer as the two isomers readily interconvert in solution; most pharmacological studies will have been performed using a mixture.
Synonyms:exact_synonym: 2-(4-hydroxyphenyl)ethyl (3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate
 related_synonym: Formula=C17H20O5;   InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/t15-/m0/s1;   InChIKey=VPOVFCBNUOUZGG-HNNXBMFYSA-N;   SMILES=CC=C(C=O)[C@@H](CC=O)CC(=O)OCCc1ccc(O)cc1;   deacetoxy ligstroside aglycon;   deacetoxy ligstroside aglycone
 xref: CAS:289030-99-5;   MetaCyc:CPD-17783;   PMID:12590491;   PMID:16136122;   PMID:16397870;   PMID:17685574;   PMID:19166297;   PMID:19273462;   PMID:19549281;   PMID:19631677;   PMID:20161637;   PMID:20201078;   PMID:21248124;   PMID:21328179;   PMID:21391116;   PMID:21443487;   PMID:21894330;   PMID:22000808;   PMID:22988908;   PMID:23044226;   PMID:23116297;   PMID:23414128;   PMID:23521677;   PMID:23703283;   PMID:24849787;   PMID:25019344;   PMID:25236241;   PMID:25306330;   PMID:25448758;   PMID:25922082;   PMID:26166135;   PMID:26248874;   PMID:26348065;   PMID:26380379;   PMID:27259268;   PMID:27266366;   PMID:27837824;   PMID:27878290;   PMID:28392295;   PMID:28625568;   PMID:28656311;   Reaxys:10180050;   Wikipedia:Oleocanthal


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      chemical role 24242
        antioxidant 17487
          oleocanthal 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            heteroorganic entity 24766
                              organochalcogen compound 24378
                                organooxygen compound 24054
                                  carbon oxoacid 22749
                                    carboxylic acid 22729
                                      carboacyl group 20055
                                        univalent carboacyl group 20055
                                          formyl group 9969
                                            aldehyde 9969
                                              alpha,beta-unsaturated aldehyde 3167
                                                enal 3167
                                                  oleocanthal 0
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