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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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Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      chemical role 19460
        antioxidant 16146
          oleuropein aglycone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            heteroorganic entity 19495
                              organochalcogen compound 19257
                                organooxygen compound 19175
                                  carbohydrates and carbohydrate derivatives 15284
                                    carbohydrate 15284
                                      monosaccharide 4806
                                        aldose 3224
                                          aldohexose 2876
                                            glucose 2830
                                              D-glucose 2828
                                                D-glucopyranose 1809
                                                  beta-D-glucose 1659
                                                    beta-D-glucoside 1465
                                                      oleuropein 36
                                                        oleuropein aglycone 0
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