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ONTOLOGY REPORT - ANNOTATIONS


Term:3alpha,6alpha-epoxy-4beta,5beta,27-trihydroxy-1-oxowitha-24-enolide
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Accession:CHEBI:69125 term browser browse the term
Definition:A withanolide that is 3,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 4, 5 and 27 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia.
Synonyms:exact_synonym: (3alpha,4beta,5beta,6alpha,22R)-4,5,27-trihydroxy-3,6:22,26-diepoxyergost-24-ene-1,26-dione
 related_synonym: Formula=C28H40O7;   InChI=1S/C28H40O7/c1-13-9-20(35-25(32)16(13)12-29)14(2)17-5-6-18-15-10-23-28(33)24(31)21(34-23)11-22(30)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29,31,33H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20+,21+,23-,24-,26+,27-,28-/m0/s1;   InChIKey=YXNFYOIERQXPKC-UXAIKDGVSA-N;   SMILES=C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@H]5CC(=O)[C@](C)([C@H]3CC[C@]12C)[C@@]4(O)[C@H]5O)[C@H]1CC(C)=C(CO)C(=O)O1
 xref: PMID:22098611 "Europe PMC";   Reaxys:9175056 "Reaxys"


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  CHEBI ontology 824
    role 801
      biological role 801
        biochemical role 674
          metabolite 657
            3alpha,6alpha-epoxy-4beta,5beta,27-trihydroxy-1-oxowitha-24-enolide 0
Path 2
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  CHEBI ontology 824
    subatomic particle 808
      composite particle 808
        hadron 808
          baryon 808
            nucleon 808
              atomic nucleus 808
                atom 808
                  main group element atom 796
                    p-block element atom 793
                      carbon group element atom 765
                        carbon atom 761
                          organic molecular entity 761
                            organic group 348
                              organic divalent group 346
                                organodiyl group 346
                                  carbonyl group 345
                                    carbonyl compound 345
                                      carboxylic ester 195
                                        lactone 137
                                          steroid lactone 2
                                            withanolide 0
                                              3alpha,6alpha-epoxy-4beta,5beta,27-trihydroxy-1-oxowitha-24-enolide 0
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