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ONTOLOGY REPORT - ANNOTATIONS


Term:3-deacetylsalannin
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Accession:CHEBI:67311 term browser browse the term
Definition:A limonoid that is salannin in which the acetyloxy group at position 6 is replaced by a hydroxy group. It has been isolated from Azadirachta indica.
Synonyms:exact_synonym: (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-(furan-3-yl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl (2E)-2-methylbut-2-enoate
 related_synonym: Formula=C32H42O8;   InChI=1S/C32H42O8/c1-8-16(2)29(35)40-23-13-22(33)30(4)15-38-26-27(30)31(23,5)21(12-24(34)36-7)32(6)25-17(3)19(18-9-10-37-14-18)11-20(25)39-28(26)32/h8-10,14,19-23,26-28,33H,11-13,15H2,1-7H3/b16-8+/t19-,20-,21-,22-,23+,26-,27+,28-,30-,31+,32-/m1/s1;   InChIKey=MJNRBOGIPLCVIM-LJEOTECVSA-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]2OC[C@@]3(C)[C@H]2[C@]1(C)[C@H](C[C@H]3O)OC(=O)C(\\C)=C\\C
 xref: CAS:1110-56-1;   PMID:21263200;   PMID:21381696;   Reaxys:7675507


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Term Annotations click to browse term
  CHEBI ontology 19789
    role 19735
      application 19381
        anti-inflammatory agent 14972
          3-deacetylsalannin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19789
    subatomic particle 19787
      composite particle 19787
        hadron 19787
          baryon 19787
            nucleon 19787
              atomic nucleus 19787
                atom 19787
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19569
                        carbon atom 19558
                          organic molecular entity 19558
                            organic group 18473
                              organic divalent group 18467
                                organodiyl group 18467
                                  carbonyl group 18366
                                    carbonyl compound 18366
                                      carboxylic acid 18038
                                        monocarboxylic acid 17290
                                          fatty acid 15827
                                            unsaturated fatty acid 904
                                              monounsaturated fatty acid 403
                                                butenoic acid 19
                                                  2-butenoic acid 19
                                                    2-methylbut-2-enoic acid 0
                                                      tiglic acid 0
                                                        salannin 0
                                                          3-deacetylsalannin 0
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