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ONTOLOGY REPORT - ANNOTATIONS


Term:minabeolide 5
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Accession:CHEBI:67569 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 and an acetoxy group at position 18. Isolated from Paraminabea acronocephala, it exhibits anti-inflammatory activity.
Synonyms:exact_synonym: (22R,25S)-3,26-dioxo-22,26-epoxycholesta-1,4-dien-18-yl acetate
 related_synonym: 28-nor-3-oxo-18-acetoxy-witha-1,4-dienolide;   Formula=C29H40O5;   InChI=1S/C29H40O5/c1-17-5-10-26(34-27(17)32)18(2)23-8-9-25-22-7-6-20-15-21(31)11-13-28(20,4)24(22)12-14-29(23,25)16-33-19(3)30/h11,13,15,17-18,22-26H,5-10,12,14,16H2,1-4H3/t17-,18-,22+,23+,24-,25-,26+,28-,29-/m0/s1;   InChIKey=KMDRJFYWGCLAGL-NXAGNEQWSA-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@H](C)C(=O)O1
 xref: PMID:21425785 "Europe PMC";   Reaxys:21534306 "Reaxys"


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  CHEBI ontology 19728
    role 19675
      application 19328
        anti-inflammatory agent 14935
          minabeolide 5 0
Path 2
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  CHEBI ontology 19728
    subatomic particle 19724
      composite particle 19724
        hadron 19724
          baryon 19724
            nucleon 19724
              atomic nucleus 19724
                atom 19724
                  main group element atom 19610
                    p-block element atom 19610
                      carbon group element atom 19501
                        carbon atom 19494
                          organic molecular entity 19494
                            organic group 18413
                              organic divalent group 18404
                                organodiyl group 18404
                                  carbonyl group 18293
                                    carbonyl compound 18293
                                      carboxylic acid 17960
                                        monocarboxylic acid 17264
                                          acetic acid 10581
                                            acetate ester 3181
                                              minabeolide 5 0
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