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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:minabeolide 4
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Accession:CHEBI:67568 term browser browse the term
Definition:A withanolide that is (22R,25S)-22,26-epoxycholesta-1,4-dien-26-one substituted by an oxo group at position 3. Isolated from Paraminabea acronocephala,it exhibits anti-inflammatory activity.
Synonyms:exact_synonym: (22R,25S)-22,26-epoxycholesta-1,4-diene-3,26-dione
 related_synonym: 28-nor-3-oxo-witha-1,4-dienolide;   Formula=C27H38O3;   InChI=1S/C27H38O3/c1-16-5-10-24(30-25(16)29)17(2)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h11,13,15-17,20-24H,5-10,12,14H2,1-4H3/t16-,17-,20-,21+,22-,23-,24+,26-,27+/m0/s1;   InChIKey=OIROZVSBVQAEPT-HDSKOFFVSA-N;   SMILES=[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H]1CC[C@H](C)C(=O)O1
 xref: PMID:21425785;   Reaxys:21534299


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22178
    role 22194
      application 21744
        anti-inflammatory agent 17331
          minabeolide 4 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      carbon group element atom 21904
                        carbon atom 21859
                          organic molecular entity 21830
                            heteroorganic entity 21482
                              organochalcogen compound 20966
                                organooxygen compound 20806
                                  carbonyl compound 20172
                                    ketone 17949
                                      oxo steroid 10655
                                        3-oxo steroid 9988
                                          3-oxo-Delta(1) steroid 5270
                                            3-oxo-Delta(1),Delta(4)-steroid 5270
                                              minabeolide 4 0
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