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ONTOLOGY REPORT - ANNOTATIONS


Term:pentalenolactone D
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Accession:CHEBI:70805 term browser browse the term
Definition:A sesquiterpene lactone obtained by regioselective Bayer-Villiger oxidation of 1-deoxy-11-oxopentalenic acid.
Synonyms:exact_synonym: (4S,4aR,7aS,9aR)-4,6,6-trimethyl-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylic acid
 related_synonym: Formula=C15H20O4;   InChI=1S/C15H20O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,16,17)/t8-,9-,11+,15-/m1/s1;   InChIKey=MRLXXQBBRNRWDA-LIEMUPCESA-N;   SMILES=[H][C@@]12CC(C)(C)C[C@@]11[C@H](C)C(=O)OC[C@@]1([H])C(=C2)C(O)=O
 xref: MetaCyc:CPD-13621;   PMID:21250661 "Europe PMC";   Reaxys:5347613 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:70787


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Term Annotations click to browse term
  CHEBI ontology 19596
    role 19539
      biological role 19537
        biochemical role 19055
          metabolite 19020
            prokaryotic metabolite 18080
              bacterial metabolite 18080
                pentalenolactone D 0
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  CHEBI ontology 19596
    subatomic particle 19592
      composite particle 19592
        hadron 19592
          baryon 19592
            nucleon 19592
              atomic nucleus 19592
                atom 19592
                  main group element atom 19471
                    p-block element atom 19471
                      carbon group element atom 19345
                        carbon atom 19337
                          organic molecular entity 19337
                            organic group 18299
                              organic divalent group 18289
                                organodiyl group 18289
                                  carbonyl group 18176
                                    carbonyl compound 18176
                                      carboxylic ester 13615
                                        lactone 5843
                                          terpene lactone 1743
                                            sesquiterpene lactone 1596
                                              pentalenolactone D 0
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