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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:7-deacetyl-7-benzoylepoxyazadiradione
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Accession:CHEBI:67286 term browser browse the term
Definition:A limonoid that is epoxyazadiradione in which the acetyl group has been replaced by a benzoyl group. It has been isolated from Azadirachta indica.
Synonyms:exact_synonym: (5alpha,7alpha,13alpha,14beta,15beta,17alpha)-17-(furan-3-yl)-4,4,8-trimethyl-3,16-dioxo-14,15-epoxyandrost-1-en-7-yl benzoate
 related_synonym: Formula=C33H36O6;   InChI=1S/C33H36O6/c1-29(2)22-17-24(38-28(36)19-9-7-6-8-10-19)32(5)21(30(22,3)14-12-23(29)34)11-15-31(4)25(20-13-16-37-18-20)26(35)27-33(31,32)39-27/h6-10,12-14,16,18,21-22,24-25,27H,11,15,17H2,1-5H3/t21-,22+,24-,25-,27-,30-,31+,32+,33-/m1/s1;   InChIKey=NHRKCWIDMHBOOY-CRMKCTJSSA-N;   SMILES=[C@]123[C@](C(=O)[C@]([C@@]1(CC[C@@]4([C@]5(C=CC(C([C@@]5(C[C@H]([C@@]24C)OC(=O)C6=CC=CC=C6)[H])(C)C)=O)C)[H])C)(C7=COC=C7)[H])([H])O3
 xref: PMID:21381696;   Reaxys:6551424


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Term Annotations click to browse term
  CHEBI ontology 494
    role 501
      biological role 494
        biochemical role 454
          metabolite 445
            7-deacetyl-7-benzoylepoxyazadiradione 0
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Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            heteroorganic entity 471
                              organochalcogen compound 425
                                organooxygen compound 423
                                  carbonyl compound 399
                                    ketone 48
                                      cyclic ketone 44
                                        alicyclic ketone 1
                                          cyclic terpene ketone 0
                                            azadiradione 0
                                              epoxyazadiradione 0
                                                7-deacetyl-7-benzoylepoxyazadiradione 0
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