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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:ajubractin E
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Accession:CHEBI:67468 term browser browse the term
Definition:A diterpenoid isolated from the aerial parts of Ajuga bracteosa.
Synonyms:exact_synonym: {(1R,2S,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-2-hydroxy-5,6-dimethyloctahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl acetate
 related_synonym: 3-epi-14,15-dihydrocaryoptinol;   3beta-hydroxy-14,15-dihydroclerodin;   Formula=C24H36O8;   InChI=1S/C24H36O8/c1-13-9-20(31-15(3)26)23(11-29-14(2)25)17(5-6-18(27)24(23)12-30-24)22(13,4)19-10-16-7-8-28-21(16)32-19/h13,16-21,27H,5-12H2,1-4H3/t13-,16-,17-,18+,19+,20+,21+,22+,23+,24-/m1/s1;   InChIKey=YGOONLMJIAXMBW-PVSOBBEXSA-N;   SMILES=C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](CC[C@H](O)[C@]22CO2)[C@@]1(C)[C@@H]1C[C@H]2CCO[C@H]2O1
 xref: PMID:21539300;   Reaxys:21534270


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      application 19630
        pesticide 17927
          antifeedant 1593
            ajubractin E 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic heterocyclic compound 18862
                                  organic heteromonocyclic compound 17772
                                    saturated organic heteromonocyclic parent 11282
                                      oxirane 11262
                                        epoxide 11276
                                          spiro-epoxide 25
                                            ajubractin E 0
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