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ONTOLOGY REPORT - ANNOTATIONS


Term:24-epi-cathasterone-22-O-sulfate
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Accession:CHEBI:136768 term browser browse the term
Definition:A brassinosteroid that is 24-epi-cathasterone on which the hydroxy hydrogen at position 22 has been replaced by a sulfo group.
Synonyms:exact_synonym: (22S)-3beta-hydroxy-6-oxo-5alpha-ergostan-22-yl hydrogen sulfate
 related_synonym: (3beta,5alpha,22S)-3-hydroxy-6-oxoergostan-22-yl hydrogen sulfate;   24-epi-cathasterone-22-sulfate;   24-epicathasterone-22-O-sulfate;   Formula=C28H48O6S;   InChI=1S/C28H48O6S/c1-16(2)17(3)13-26(34-35(31,32)33)18(4)21-7-8-22-20-15-25(30)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-24,26,29H,7-15H2,1-6H3,(H,31,32,33)/t17-,18-,19-,20-,21+,22-,23-,24+,26-,27+,28+/m0/s1;   InChIKey=MMHKTOGFTDNQOU-QDUMAPLTSA-N;   SMILES=C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC([C@]2(C[C@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H]([C@H](C[C@@H](C(C)C)C)OS(O)(=O)=O)C)[H])[H])C)[H])C


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  CHEBI ontology 19790
    role 19738
      biological role 19737
        biochemical role 19232
          metabolite 19208
            eukaryotic metabolite 18822
              plant metabolite 17320
                Brassica napus metabolite 29
                  24-epi-cathasterone-22-O-sulfate 0
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  CHEBI ontology 19790
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19674
                    p-block element atom 19674
                      chalcogen 19378
                        oxygen atom 19339
                          oxygen molecular entity 19339
                            hydroxides 19079
                              oxoacid 18174
                                chalcogen oxoacid 11481
                                  sulfur oxoacid 11081
                                    sulfuric acid 8012
                                      sulfuric acid derivative 8012
                                        sulfates 8009
                                          organic sulfate 1931
                                            steroid sulfate 61
                                              24-epi-cathasterone-22-O-sulfate 0
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