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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Definition:A limonoid that is epoxyazadiradione in which the acetyl group has been replaced by a benzoyl group.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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  CHEBI ontology 19810
    role 19758
      biological role 19758
        biochemical role 19304
          metabolite 19285
            7-deacetyl-7-benzoylepoxyazadiradione 0
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  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic group 18527
                              organic divalent group 18520
                                organodiyl group 18520
                                  carbonyl group 18427
                                    carbonyl compound 18427
                                      ketone 16171
                                        cyclic ketone 13874
                                          alicyclic ketone 1049
                                            cyclic terpene ketone 128
                                              azadiradione 4
                                                epoxyazadiradione 0
                                                  7-deacetyl-7-benzoylepoxyazadiradione 0
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