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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-benzoylgedunin
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Accession:CHEBI:67297 term browser browse the term
Definition:A limonoid that is gedunin in which the acetoxy group at position 7 is replaced by a benzoyloxy group. Isolated from Azadirachta indica, it exhibits cytotoxic activity against HL60 leukemia cells.
Synonyms:exact_synonym: (4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-10-(furan-3-yl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl benzoate
 related_synonym: Formula=C33H36O7;   InChI=1S/C33H36O7/c1-29(2)22-17-24(38-27(35)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)39-28(36)26-33(31,32)40-26/h6-10,12-14,16,18,21-22,24-26H,11,15,17H2,1-5H3/t21-,22+,24-,25+,26-,30-,31+,32+,33-/m1/s1;   InChIKey=FJGQKVDLYYRRKR-VHSMAHMUSA-N;   SMILES=CC1(C)[C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]2(C)C=CC1=O
 xref: PMID:21381696;   Reaxys:6552768



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  CHEBI ontology 19823
    role 19773
      application 19486
        pharmaceutical 19335
          drug 19335
            antineoplastic agent 17378
              7-deacetyl-7-benzoylgedunin 0
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  CHEBI ontology 19823
    subatomic particle 19821
      composite particle 19821
        hadron 19821
          baryon 19821
            nucleon 19821
              atomic nucleus 19821
                atom 19821
                  main group element atom 19720
                    p-block element atom 19720
                      carbon group element atom 19643
                        carbon atom 19633
                          organic molecular entity 19633
                            organic group 18739
                              organic divalent group 18730
                                organodiyl group 18730
                                  carbonyl group 18678
                                    carbonyl compound 18678
                                      carboxylic acid 18376
                                        monocarboxylic acid 17639
                                          acetic acid 10860
                                            acetate ester 3877
                                              gedunin 83
                                                7-deacetyl-7-benzoylgedunin 0
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