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ONTOLOGY REPORT - ANNOTATIONS


Term:1alpha-acetoxy-2alpha-hydroxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran
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Accession:CHEBI:65774 term browser browse the term
Definition:A dihydroagarofuran sesquiterpenoid that consists of dihydroagarofuran substituted by a acetyloxy group at position 1, benzyloxy groups at positions 6, 9 and 15 and a hydroxy group at position 2. It is isolated from the roots of Microtropis fokienensis and exhibits antitubercular activity.
Synonyms:exact_synonym: (3R,5S,5aR,6R,7S,9R,9aS,10R)-6-(acetyloxy)-5a-[(benzoyloxy)methyl]-7-hydroxy-2,2,9-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine-5,10-diyl dibenzoate
 related_synonym: Formula=C38H40O10;   InChI=1S/C38H40O10/c1-23-20-29(40)32(45-24(2)39)37(22-44-33(41)25-14-8-5-9-15-25)30(46-34(42)26-16-10-6-11-17-26)21-28-31(38(23,37)48-36(28,3)4)47-35(43)27-18-12-7-13-19-27/h5-19,23,28-32,40H,20-22H2,1-4H3/t23-,28-,29+,30+,31-,32+,37-,38-/m1/s1;   InChIKey=FCQBGPOADKWYEG-MNRUEBDGSA-N;   SMILES=[H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(COC(=O)c4ccccc4)[C@@H](OC(C)=O)[C@@H](O)C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(=O)c1ccccc1
 xref: PMID:17315960 "Europe PMC";   Reaxys:11042045 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 19596
    role 19539
      biological role 19537
        biochemical role 19055
          metabolite 19020
            1alpha-acetoxy-2alpha-hydroxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran 0
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  CHEBI ontology 19596
    subatomic particle 19592
      composite particle 19592
        hadron 19592
          baryon 19592
            nucleon 19592
              atomic nucleus 19592
                atom 19592
                  main group element atom 19471
                    p-block element atom 19471
                      carbon group element atom 19345
                        carbon atom 19337
                          organic molecular entity 19337
                            organic group 18299
                              organic divalent group 18289
                                organodiyl group 18289
                                  carbonyl group 18176
                                    carbonyl compound 18176
                                      carboxylic acid 17840
                                        aromatic carboxylic acid 10048
                                          benzoic acids 10007
                                            benzoate ester 3889
                                              1alpha-acetoxy-2alpha-hydroxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran 0
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