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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:yanuthone D
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Accession:CHEBI:133841 term browser browse the term
Definition:A class I yanuthone that is yanuthone E in which the secondary hydroxy group has been oxidised to the corresponding ketone. It is the only one of the sixteen yanuthones described up to 2015 to display strong antimicrobial activity.
Synonyms:exact_synonym: 5-({(1S,6R)-2,5-dioxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid
 related_synonym: Formula=C28H38O8;   InChI=1S/C28H38O8/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-28-22(29)14-21(25(33)26(28)36-28)17-35-24(32)16-27(5,34)15-23(30)31/h8,10,12,14,26,34H,6-7,9,11,13,15-17H2,1-5H3,(H,30,31)/b19-10+,20-12+/t26-,27?,28+/m1/s1;   InChIKey=NIBXHVDVUJEQPO-MHVGILDJSA-N;   SMILES=C/C(=C\\CC\\C(\\C)=C\\C[C@]12C(C=C(C([C@H]1O2)=O)COC(CC(CC(O)=O)(O)C)=O)=O)/CCC=C(C)C
 xref: PMID:11031048;   PMID:24684908;   PMID:25293978;   PMID:26729047;   Reaxys:8741127



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Term Annotations click to browse term
  CHEBI ontology 19838
    role 19810
      biological role 19808
        antimicrobial agent 18202
          antifungal agent 17133
            yanuthone D 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19722
                        carbon atom 19719
                          organic molecular entity 19719
                            heteroorganic entity 19474
                              organochalcogen compound 19262
                                organooxygen compound 19153
                                  carbonyl compound 18904
                                    ketone 17170
                                      cyclic ketone 15708
                                        alicyclic ketone 1181
                                          cyclohexenones 119
                                            yanuthones 0
                                              class I yanuthone 0
                                                7-deacetoxyyanuthone A 0
                                                  22-deacetylyanuthone A 0
                                                    yanuthone E 0
                                                      yanuthone D 0
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