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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:stemphyloxin II
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Accession:CHEBI:145066 term browser browse the term
Definition:A carbotricyclic compound that is betaenone A in which the butan-2-yl side-chain has been hydroxylated at position 1. A phytotoxin isolated from the endophytic fungus Stemphylium botryosum, it shows high affinity for ferric (but not ferrous) ions.
Synonyms:exact_synonym: (1S,2S,4R,6R,7S,8R,10Z,11S,12R)-1,4,11-trihydroxy-12-[(2R)-1-hydroxybutan-2-yl]-10-(hydroxymethylene)-4,6,8,11-tetramethyltricyclo[6.2.2.0(2,7)]dodecan-9-one
 related_synonym: (1R,3Z,4S,4aS,6R,8R,8aS,9S,10R)-4,6,9-trihydroxy-10-[(2R)-1-hydroxybutan-2-yl]-3-(hydroxymethylidene)-1,6,8,9-tetramethyloctahydro-1,4-ethanonaphthalen-2(1H)-one;   Formula=C21H34O6;   InChI=1S/C21H34O6/c1-6-12(9-22)16-19(4)15-11(2)7-18(3,25)8-13(15)21(27,20(16,5)26)14(10-23)17(19)24/h10-13,15-16,22-23,25-27H,6-9H2,1-5H3/b14-10+/t11-,12+,13+,15+,16-,18-,19-,20+,21+/m1/s1;   InChIKey=JTFGPTHCAAUOQL-RNPLJHCFSA-N;   SMILES=[C@]12(C(/C(/[C@]([C@@]3([C@@]1([C@@](C[C@](C3)(O)C)(C)[H])[H])[H])(O)[C@@]([C@@]2([C@@H](CC)CO)[H])(C)O)=C\\O)=O)C
 xref: PMID:31553484


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  CHEBI ontology 19874
    role 19844
      chemical role 19473
        ligand 6754
          chelator 6741
            iron chelator 1313
              stemphyloxin II 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            heteroorganic entity 19505
                              organochalcogen compound 19268
                                organooxygen compound 19184
                                  carbon oxoacid 18654
                                    carboxylic acid 18651
                                      carboacyl group 17694
                                        univalent carboacyl group 17694
                                          formyl group 9051
                                            aldehyde 9051
                                              ketoaldehyde 92
                                                3-oxo aldehyde 0
                                                  betaenone A 0
                                                    stemphyloxin II 0
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