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ONTOLOGY REPORT - ANNOTATIONS


Term:7-deacetylgedunin
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Accession:CHEBI:67296 term browser browse the term
Definition:A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica.
Synonyms:exact_synonym: (4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-10-(furan-3-yl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-4a,5,6,6a,10,10a,11,12,12a,12b-decahydronaphtho[2,1-f]oxireno[d]isochromene-3,8(4H,7aH)-dione
 related_synonym: (5alpha,7alpha,13alpha,14beta,15beta,17aalpha)-14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-D-homo-24-nor-17-oxachlola-1,20-,22-triene-3,16-dione;   7-deacetoxy-7alpha-hydroxygedunin;   Formula=C26H32O6;   InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,18-20,28H,6,10,12H2,1-5H3/t15-,16+,18-,19+,20-,23-,24+,25+,26-/m1/s1;   InChIKey=HCEYJYMNIQHPPK-DXTZDJJUSA-N;   SMILES=CC1(C)[C@@H]2C[C@@H](O)[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;   deacetylgedunin
 xref: AGR:IND43726963;   CAS:10314-90-6;   PMID:19003936;   PMID:21381696;   PMID:21733687;   PMID:22659195;   Reaxys:5838176


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  CHEBI ontology 853
    role 831
      application 467
        anti-inflammatory agent 60
          7-deacetylgedunin 0
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  CHEBI ontology 853
    subatomic particle 838
      composite particle 838
        hadron 838
          baryon 838
            nucleon 838
              atomic nucleus 838
                atom 838
                  main group element atom 826
                    p-block element atom 823
                      carbon group element atom 796
                        carbon atom 792
                          organic molecular entity 792
                            organic group 372
                              organic divalent group 370
                                organodiyl group 370
                                  carbonyl group 369
                                    carbonyl compound 369
                                      carboxylic acid 249
                                        monocarboxylic acid 132
                                          acetic acid 41
                                            acetate ester 19
                                              gedunin 0
                                                7-deacetylgedunin 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.