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ONTOLOGY REPORT - ANNOTATIONS


Term:berkeleyone A
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Accession:CHEBI:69024 term browser browse the term
Definition:A meroterpenoid found in Penicillium rubrum and has been shown to exhibit inhibitory activity against caspase-1.
Synonyms:exact_synonym: rel-methyl (3R,4aS,6aS,7R,9S,11R,12aS,12bS)-3,9-dihydroxy-4,4,6a,9,11,12b-hexamethyl-13-methylidene-8,10-dioxotetradecahydro-7,11-methanocycloocta[a]naphthalene-7(2H)-carboxylate
 related_synonym: Formula=C26H38O6;   InChI=1S/C26H38O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-17,27,31H,1,9-13H2,2-8H3/t15-,16+,17-,22-,23-,24+,25+,26+/m1/s1;   InChIKey=NNHHTFDBMMPBSL-JFPRQHOTSA-N;   SMILES=COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]13C)C(=O)[C@](C)(O)C2=O
 xref: PMID:21916432;   Reaxys:23869569


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Term Annotations click to browse term
  CHEBI ontology 19779
    role 19727
      application 19373
        fuel 10382
          methanol 3061
            methyl ester 3050
              berkeleyone A 0
Path 2
Term Annotations click to browse term
  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
                                        oxyketone 8604
                                          alpha-oxyketone 8604
                                            alpha-hydroxy ketone 8604
                                              tertiary alpha-hydroxy ketone 8328
                                                berkeleyone A 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.