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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 1
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Accession:CHEBI:67566 term browser browse the term
Definition:A withanolide that is (22R)-22,26-epoxyergosta-1,4,24-triene substituted by oxo groups at positions 3 and 26. Isolated from Paraminabea acronocephala, it exhibits antineoplastic and anti-inflammatory activities.
Synonyms:exact_synonym: (22R)-22,26-epoxyergosta-1,4,24-triene-3,26-dione
 related_synonym: 3-oxo-witha-1,4,24-trienolide;   Formula=C28H38O3;   InChI=1S/C28H38O3/c1-16-14-25(31-26(30)17(16)2)18(3)22-8-9-23-21-7-6-19-15-20(29)10-12-27(19,4)24(21)11-13-28(22,23)5/h10,12,15,18,21-25H,6-9,11,13-14H2,1-5H3/t18-,21-,22+,23-,24-,25+,27-,28+/m0/s1;   InChIKey=XNASBJNLSIWJAM-CCSWOSDBSA-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)=C(C)C(=O)O1
 xref: PMID:21425785;   Reaxys:21534300


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Term Annotations click to browse term
  CHEBI ontology 19761
    role 19711
      application 19401
        anti-inflammatory agent 15761
          minabeolide 1 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic group 18593
                              organic divalent group 18584
                                organodiyl group 18584
                                  carbonyl group 18499
                                    carbonyl compound 18499
                                      ketone 16824
                                        oxo steroid 9708
                                          3-oxo steroid 9269
                                            3-oxo-Delta(1) steroid 5119
                                              3-oxo-Delta(1),Delta(4)-steroid 5119
                                                minabeolide 1 0
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