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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 19767
    role 19714
      chemical role 19255
        antioxidant 14274
          oleocanthal 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19767
    subatomic particle 19766
      composite particle 19766
        hadron 19766
          baryon 19766
            nucleon 19766
              atomic nucleus 19766
                atom 19766
                  main group element atom 19657
                    p-block element atom 19657
                      carbon group element atom 19573
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18156
                                        carboacyl group 17415
                                          univalent carboacyl group 17415
                                            formyl group 8790
                                              aldehyde 8790
                                                alpha,beta-unsaturated aldehyde 2894
                                                  enal 2894
                                                    oleocanthal 0
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