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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:CT2108B
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Accession:CHEBI:65679 term browser browse the term
Definition:An azaphilone that is 7,8-dihydro-6H-isochromene substituted by a hepta-1,3,5-trien-1-yl group at position 3, a [3-hydroxybutanoyl]oxy group at position 7, a methyl group at position 7 and oxo groups at positions 6 and 8 respectively (the 3S,7S stereoisomer). A fungal metabolite, it is isolated from the fermentation broth of Penicillium solitum strain CT2108 and exhibits inhibitory activity against fatty acid synthase as well as fungicidal activity.
Synonyms:exact_synonym: (7S)-3-[(1E,3E,5E)-hepta-1,3,5-trien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl (3S)-3-hydroxybutanoate
 related_synonym: Formula=C21H22O6;   InChI=1S/C21H22O6/c1-4-5-6-7-8-9-16-11-15-12-18(23)21(3,20(25)17(15)13-26-16)27-19(24)10-14(2)22/h4-9,11-14,22H,10H2,1-3H3/b5-4+,7-6+,9-8+/t14-,21-/m0/s1;   InChIKey=DWEOLLYPKQIHIN-JOAINMFFSA-N;   SMILES=C\\C=C\\C=C\\C=C\\C1=CC2=CC(=O)[C@](C)(OC(=O)C[C@H](C)O)C(=O)C2=CO1
 xref: PMID:12932120;   Reaxys:9513719



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Term Annotations click to browse term
  CHEBI ontology 19863
    role 19835
      biological role 19833
        antimicrobial agent 18223
          CT2108B 0
Path 2
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  CHEBI ontology 19863
    subatomic particle 19861
      composite particle 19861
        hadron 19861
          baryon 19861
            nucleon 19861
              atomic nucleus 19861
                atom 19861
                  main group element atom 19807
                    p-block element atom 19807
                      carbon group element atom 19748
                        carbon atom 19744
                          organic molecular entity 19744
                            organic molecule 19695
                              organic cyclic compound 19506
                                organic heterocyclic compound 18878
                                  oxacycle 17892
                                    benzopyran 11972
                                      2-benzopyran 1471
                                        isochromenes 1471
                                          CT2108B 0
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