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ONTOLOGY REPORT - ANNOTATIONS


Term:alisiaquinone A
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Accession:CHEBI:65382 term browser browse the term
Definition:An organic heteropentacyclic compound comprising (2aS,5aR,8aR,8bS)-8a-hydroxy-2a,5a-dimethyldecahydro-8H-naphtho[1,8-bc]furan-8-one ortho-fused to C-6 and C-7 of 1,4-naphthoquinone. An antiplasmodial drug isolated from New Caledonian deep water sponge.
Synonyms:exact_synonym: (3aS,5aR,12bS,12cS)-5a-hydroxy-3a,12b-dimethyl-2,3,3a,4,12b,12c-hexahydro-1H-tetrapheno[5,4-bc]furan-6,8,11(5aH)-trione
 related_synonym: Formula=C21H20O5;   InChI=1S/C21H20O5/c1-19-6-3-7-20(2)14-9-12-11(15(22)4-5-16(12)23)8-13(14)17(24)21(25,18(19)20)26-10-19/h4-5,8-9,18,25H,3,6-7,10H2,1-2H3/t18-,19-,20-,21+/m1/s1;   InChIKey=HKHLFNJYCWZXPO-NCYKPQTJSA-N;   SMILES=[H][C@@]12[C@]3(C)CCC[C@]1(C)c1cc4C(=O)C=CC(=O)c4cc1C(=O)[C@]2(O)OC3
 xref: PMID:18512987;   Reaxys:19205149


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19778
    role 19725
      biological role 19724
        biochemical role 19214
          metabolite 19189
            alisiaquinone A 0
              alisiaquinone B 0
              alisiaquninone C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19778
    subatomic particle 19776
      composite particle 19776
        hadron 19776
          baryon 19776
            nucleon 19776
              atomic nucleus 19776
                atom 19776
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19556
                        carbon atom 19545
                          organic molecular entity 19545
                            organic group 18459
                              organic divalent group 18453
                                organodiyl group 18453
                                  carbonyl group 18354
                                    carbonyl compound 18354
                                      ketone 15984
                                        cyclic ketone 13461
                                          quinone 8240
                                            naphthoquinone 1422
                                              1,4-naphthoquinones 1398
                                                1,4-naphthoquinone 170
                                                  alisiaquinone A 0
                                                    alisiaquinone B 0
                                                    alisiaquninone C 0
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