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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:dzununcanone
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Accession:CHEBI:65818 term browser browse the term
Definition:A tetracyclic triterpenoid that is 3,24-dinor-2,4-seco-friedelan-1(10),5,7-triene substituted by methoxycarbonyl groups at positions 2 and 29 and an oxo group at position 4. Isolated from the root bark of Hippocratea excelsa, it exhibits anti-protozoal activity against Giardia intestinalis.
Synonyms:exact_synonym: methyl (3R,4aR,4bS,6aR,7Z,10bS,12aS)-8-acetyl-7-(2-methoxy-2-oxoethylidene)-3,4b,6a,10b,12a-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,10b,11,12,12a-tetradecahydrochrysene-3-carboxylate
 related_synonym: 3,24-dinor-2,4-seco-4-oxo-friedelan-1(10),5,7-triene-2,29-dioic acid dimethylester;   Formula=C30H42O5;   InChI=1S/C30H42O5/c1-19(31)20-9-10-22-28(4,21(20)17-24(32)34-7)14-16-30(6)23-18-27(3,25(33)35-8)12-11-26(23,2)13-15-29(22,30)5/h9-10,17,23H,11-16,18H2,1-8H3/b21-17+/t23-,26-,27-,28+,29-,30+/m1/s1;   InChIKey=RJLTUQKBCWHJFJ-ACCWSZCWSA-N;   SMILES=[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C(C(C)=O)/C(=C\\C(=O)OC)[C@]3(C)CC[C@@]21C)C(=O)OC
 xref: PMID:17385912;   Reaxys:11223004


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  CHEBI ontology 19811
    role 19818
      biological role 19785
        biochemical role 19496
          metabolite 19484
            dzununcanone 0
Path 2
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  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      chalcogen 19515
                        oxygen atom 19520
                          oxygen molecular entity 19490
                            hydroxides 19300
                              organic hydroxy compound 18928
                                alcohol 15673
                                  aliphatic alcohol 11842
                                    alkyl alcohol 11750
                                      methanol 3957
                                        methyl ester 3904
                                          dzununcanone 0
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