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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:aspyrone
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Accession:CHEBI:156387 term browser browse the term
Definition:A member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one in which the hydrogens at positions 3, 5S and 6R are replaced by (2S,3S)-3-methyloxiran-2-yl, hydroxy and methyl groups, respectively. It is a fungal metabolite isolated from Aspergillus melleus and exhibits nematicidal, antibacterial and antifungal properties.
Synonyms:exact_synonym: (5S,6R)-5-hydroxy-6-methyl-3-[(2S,3S)-3-methyloxiran-2-yl]-5,6-dihydro-2H-pyran-2-one
 related_synonym: Formula=C9H12O4;   InChI=1S/C9H12O4/c1-4-7(10)3-6(9(11)13-4)8-5(2)12-8/h3-5,7-8,10H,1-2H3/t4-,5+,7+,8-/m1/s1;   InChIKey=RCAULRNMJFUWRP-HETMPLHPSA-N;   SMILES=[H][C@@]1(C)O[C@@]1([H])C1=C[C@H](O)[C@@H](C)OC1=O
 xref: CAS:17398-00-4;   PMID:18661951;   PMID:19589392;   PMID:28958507;   PMID:31284571;   PMID:8534985


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19751
    role 19724
      application 19557
        pesticide 17404
          nematicide 6484
            aspyrone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19751
    subatomic particle 19749
      composite particle 19749
        hadron 19749
          baryon 19749
            nucleon 19749
              atomic nucleus 19749
                atom 19749
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19644
                        carbon atom 19640
                          organic molecular entity 19640
                            organic group 18846
                              organic divalent group 18832
                                organodiyl group 18832
                                  carbonyl group 18799
                                    carbonyl compound 18799
                                      carboxylic ester 15957
                                        lactone 11410
                                          delta-lactone 3897
                                            2-pyranones 761
                                              aspyrone 0
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