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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 494
    role 501
      chemical role 420
        antioxidant 43
          oleocanthal 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            heteroorganic entity 471
                              organochalcogen compound 425
                                organooxygen compound 423
                                  carbon oxoacid 364
                                    carboxylic acid 364
                                      carboacyl group 305
                                        univalent carboacyl group 305
                                          formyl group 4
                                            aldehyde 4
                                              alpha,beta-unsaturated aldehyde 1
                                                enal 1
                                                  oleocanthal 0
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