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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 19844
    role 19820
      application 19663
        pesticide 17926
          nematicide 6488
            aspyrone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  ester 17465
                                    carboxylic ester 16740
                                      lactone 13240
                                        delta-lactone 3946
                                          2-pyranones 763
                                            aspyrone 0
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