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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 0
    role 0
      chemical role 0
        antioxidant 0
          oleuropein aglycone 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      monosaccharide 0
                                        aldose 0
                                          aldohexose 0
                                            glucose 0
                                              D-glucose 0
                                                D-glucopyranose 0
                                                  beta-D-glucose 0
                                                    beta-D-glucoside 0
                                                      oleuropein 0
                                                        oleuropein aglycone 0
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