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ONTOLOGY REPORT - ANNOTATIONS


Term:6-deacetylnimbin
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Accession:CHEBI:67305 term browser browse the term
Definition:A limonoid that is nimbin in which the acetyloxy group at position 6 is replaced by a hydroxy hroup. It has been isolated from Azadirachta indica.
Synonyms:exact_synonym: methyl (2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-2-(furan-3-yl)-5-hydroxy-10-(2-methoxy-2-oxoethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-6-carboxylate
 related_synonym: Formula=C28H34O8;   InChI=1S/C28H34O8/c1-14-16(15-8-10-35-13-15)11-17-21(14)28(4)18(12-20(30)33-5)27(3)19(29)7-9-26(2,25(32)34-6)23(27)22(31)24(28)36-17/h7-10,13,16-18,22-24,31H,11-12H2,1-6H3/t16-,17-,18-,22-,23+,24-,26-,27+,28-/m1/s1;   InChIKey=CTBHKOAPXBDFPX-PQYHCQQJSA-N;   SMILES=COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@@H](c4ccoc4)C(C)=C23)[C@H](O)[C@H]2[C@@](C)(C=CC(=O)[C@]12C)C(=O)OC;   nimbic acid dimethyl ester
 xref: CAS:18609-16-0;   PMID:21116775;   PMID:21381696;   PMID:24226248;   Reaxys:70922


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  CHEBI ontology 19779
    role 19727
      application 19373
        pesticide 16246
          antifeedant 253
            6-deacetylnimbin 0
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  CHEBI ontology 19779
    subatomic particle 19777
      composite particle 19777
        hadron 19777
          baryon 19777
            nucleon 19777
              atomic nucleus 19777
                atom 19777
                  main group element atom 19664
                    p-block element atom 19664
                      carbon group element atom 19559
                        carbon atom 19548
                          organic molecular entity 19548
                            organic group 18463
                              organic divalent group 18456
                                organodiyl group 18456
                                  carbonyl group 18356
                                    carbonyl compound 18356
                                      ketone 16006
                                        cyclic ketone 13482
                                          alicyclic ketone 1051
                                            cyclic terpene ketone 129
                                              nimbin 0
                                                6-deacetylnimbin 0
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