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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 2
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Accession:CHEBI:67567 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 and an acetoxy group at position 18. Isolated from Paraminabea acronocephala, it exhibits anti-inflammatory activity.
Synonyms:exact_synonym: (22R)-3,26-dioxo-22,26-epoxyergosta-1,4,24-trien-18-yl acetate
 related_synonym: 3-oxo-18-acetoxywitha-1,4,24-trienolide;   Formula=C30H40O5;   InChI=1S/C30H40O5/c1-17-14-27(35-28(33)18(17)2)19(3)24-8-9-26-23-7-6-21-15-22(32)10-12-29(21,5)25(23)11-13-30(24,26)16-34-20(4)31/h10,12,15,19,23-27H,6-9,11,13-14,16H2,1-5H3/t19-,23+,24+,25-,26-,27+,29-,30-/m0/s1;   InChIKey=FGHNAYQOKIGUIZ-OYMMUSFMSA-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@]12COC(C)=O)[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1
 xref: PMID:21425785;   Reaxys:21534307


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  CHEBI ontology 0
    role 0
      application 0
        anti-inflammatory agent 0
          minabeolide 2 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      ketone 0
                                        oxo steroid 0
                                          3-oxo steroid 0
                                            3-oxo-Delta(1) steroid 0
                                              3-oxo-Delta(1),Delta(4)-steroid 0
                                                minabeolide 2 0
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