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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:egonolpropanoate
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Accession:CHEBI:69553 term browser browse the term
Definition:A fatty acid ester obtained by the formal condensation of egonol with propionic acid. It has been isolated from the fruits of Styrax agrestis.
Synonyms:exact_synonym: 3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propylpropanoate
 related_synonym: 5-(3-propanoyloxypropyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran;   Formula=C22H22O6;   InChI=1S/C22H22O6/c1-3-21(23)25-8-4-5-14-9-16-12-18(28-22(16)20(10-14)24-2)15-6-7-17-19(11-15)27-13-26-17/h6-7,9-12H,3-5,8,13H2,1-2H3;   InChIKey=XDGRTOUNCQCWMA-UHFFFAOYSA-N;   SMILES=CCC(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1
 xref: PMID:21939219;   Reaxys:20716406


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26502
    role 26316
      application 25588
        pharmaceutical 24999
          drug 25002
            antifungal drug 6638
              propionic acid 4474
                egonolpropanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26502
    subatomic particle 26470
      composite particle 26478
        hadron 26478
          baryon 26478
            nucleon 26470
              atomic nucleus 26478
                atom 26478
                  main group element atom 26206
                    p-block element atom 26206
                      carbon group element atom 25649
                        carbon atom 25611
                          organic molecular entity 25611
                            heteroorganic entity 24992
                              organochalcogen compound 24589
                                organooxygen compound 24183
                                  carbon oxoacid 22806
                                    carboxylic acid 22786
                                      monocarboxylic acid 21781
                                        fatty acid 19154
                                          saturated fatty acid 18876
                                            propionic acid 4474
                                              egonolpropanoate 0
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