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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:oleuropein aglycone
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Accession:CHEBI:139162 term browser browse the term
Definition:A secoiridoid that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 3,4-dihydroxyphenethyl ester (the 2R,3E,4S stereoisomer). The most important phenolic compound present in olive cultivars.
Synonyms:exact_synonym: methyl (2R,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylate
 related_synonym: Formula=C19H22O8;   InChI=1S/C19H22O8/c1-3-12-13(14(18(23)25-2)10-27-19(12)24)9-17(22)26-7-6-11-4-5-15(20)16(21)8-11/h3-5,8,10,13,19-21,24H,6-7,9H2,1-2H3/b12-3+/t13-,19+/m0/s1;   InChIKey=BIWKXNFEOZXNLX-BBHIFXBUSA-N;   SMILES=O[C@H]1/C(/[C@](C(=CO1)C(=O)OC)([H])CC(=O)OCCC=2C=CC(=C(C2)O)O)=C/C
 xref: CAS:31773-95-2;   HMDB:HMDB0029304;   MetaCyc:CPD-20219;   PMID:15715252;   PMID:21411195;   PMID:21880869;   PMID:22342994;   PMID:23233730;   PMID:23520540;   PMID:23951225;   PMID:24211687;   PMID:25293421;   PMID:25649656;   PMID:25697790;   PMID:26278640;   PMID:26474288;   PMID:27012632;   PMID:27131215;   PMID:27455905;   PMID:27567859;   PMID:27951473;   PMID:28483880;   PMID:29160876;   Reaxys:8397738


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  CHEBI ontology 22308
    role 22292
      chemical role 21516
        antioxidant 16446
          oleuropein aglycone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22308
    subatomic particle 22302
      composite particle 22302
        hadron 22302
          baryon 22302
            nucleon 22302
              atomic nucleus 22302
                atom 22302
                  main group element atom 22183
                    p-block element atom 22183
                      carbon group element atom 21985
                        carbon atom 21924
                          organic molecular entity 21924
                            heteroorganic entity 21563
                              organochalcogen compound 21057
                                organooxygen compound 20905
                                  carbohydrates and carbohydrate derivatives 16059
                                    carbohydrate 16059
                                      monosaccharide 5083
                                        aldose 3433
                                          aldohexose 3082
                                            glucose 3033
                                              D-glucose 3031
                                                D-glucopyranose 1827
                                                  beta-D-glucose 1679
                                                    beta-D-glucoside 1486
                                                      oleuropein 36
                                                        oleuropein aglycone 0
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