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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:tsangibeilin A, rac-
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Accession:CHEBI:69313 term browser browse the term
Definition:A benzodioxole that has formula C24H26O4.
Synonyms:related_synonym: Formula=C24H26O4;   InChI=1S/C24H26O4/c25-24(26)18-6-5-14-11-19-15(16-7-8-17(18)22(14)23(16)19)3-1-2-13-4-9-20-21(10-13)28-12-27-20/h4-10,14-19,22-23H,1-3,11-12H2,(H,25,26)/t14-,15-,16-,17+,18-,19+,22-,23-/m1/s1;   InChIKey=SSXKICOQNGDABW-UILCEBSMSA-N;   SMILES=[H][C@]12C[C@@]3([H])[C@H](CCCc4ccc5OCOc5c4)[C@@]4([H])C=C[C@@]([H])([C@@H](C=C1)C(O)=O)[C@]2([H])[C@@]34[H];   rel-(1S,1aS,2aS,5R,5aR,7aR,7bS,7cS)-1-[3-(1,3-Benzodioxol-5-yl)propyl]-1a,2,2a,5,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylene-5-carboxylic acid
 xref: PMID:21846089


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Term Annotations click to browse term
  CHEBI ontology 22307
    role 22292
      biological role 22291
        biochemical role 21506
          metabolite 21455
            tsangibeilin A, rac- 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22307
    subatomic particle 22302
      composite particle 22302
        hadron 22302
          baryon 22302
            nucleon 22302
              atomic nucleus 22302
                atom 22302
                  main group element atom 22182
                    p-block element atom 22182
                      carbon group element atom 21984
                        carbon atom 21924
                          organic molecular entity 21924
                            organic molecule 21750
                              organic cyclic compound 21366
                                organic heterocyclic compound 20382
                                  organic heteropolycyclic compound 19675
                                    organic heterobicyclic compound 18253
                                      benzodioxoles 8592
                                        tsangibeilin A, rac- 0
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