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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:pentalenolactone F
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Accession:CHEBI:70809 term browser browse the term
Definition:A tetracyclic sesquiterpene lactone obtained by formal epoxidation of the 4-methylene group of pentalenolactone E.
Synonyms:exact_synonym: (2R,4a'R,7a'S,9a'R)-6',6'-dimethyl-3'-oxo-1',5',6',7',7a',9a'-hexahydrospiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid
 related_synonym: Formula=C15H18O5;   InChI=1S/C15H18O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,16,17)/t8-,10+,14-,15-/m1/s1;   InChIKey=UUDKOVSZNMZKND-BDAURDKOSA-N;   SMILES=[H][C@@]12CC(C)(C)C[C@]11[C@@]([H])(COC(=O)[C@]11CO1)C(=C2)C(O)=O
 xref: MetaCyc:CPD-13622;   PMID:16681390;   PMID:21250661;   PMID:21284395;   PMID:6469872;   PMID:6833133;   Reaxys:5382725
 cyclic_relationship: is_conjugate_acid_of CHEBI:70789

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            prokaryotic metabolite 0
              bacterial metabolite 0
                pentalenolactone F 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteromonocyclic compound 0
                                    saturated organic heteromonocyclic parent 0
                                      oxirane 0
                                        epoxide 0
                                          spiro-epoxide 0
                                            pentalenolactone F 0
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