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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:egonol-2'''-methyl butanoate
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Accession:CHEBI:69550 term browser browse the term
Definition:A fatty acid ester obtained by the formal condensation of (S)-2-methylbutyric acid with egonol. 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]propyl (2S)-2-methylbutanoate
 related_synonym: Formula=C24H26O6;   InChI=1S/C24H26O6/c1-4-15(2)24(25)27-9-5-6-16-10-18-13-20(30-23(18)22(11-16)26-3)17-7-8-19-21(12-17)29-14-28-19/h7-8,10-13,15H,4-6,9,14H2,1-3H3/t15-/m0/s1;   InChIKey=MGCSMWCSVJYFBV-HNNXBMFYSA-N;   SMILES=CC[C@H](C)C(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1
 xref: PMID:21939219;   Reaxys:22007790


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      biological role 19782
        biochemical role 19496
          metabolite 19484
            eukaryotic metabolite 19307
              plant metabolite 17943
                egonol-2'''-methyl butanoate 0
                  7-demethoxylegonol-2-methylbutanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  carbon oxoacid 18612
                                    carboxylic acid 18609
                                      monocarboxylic acid 17984
                                        fatty acid 16792
                                          short-chain fatty acid 15909
                                            fatty acid 4:0 8219
                                              butyric acid 6715
                                                methylbutyric acid 2477
                                                  2-methylbutyric acid 944
                                                    (S)-2-methylbutyric acid 944
                                                      egonol-2'''-methyl butanoate 0
                                                        7-demethoxylegonol-2-methylbutanoate 0
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