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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:Decaspirone B
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Accession:CHEBI:207636 term browser browse the term
Synonyms:exact_synonym: [(1'S,4'R,4'aS,8'S,8'aR)-4',8'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,5'-4,4a,8,8a-tetrahydro-1H-naphthalene]-1'-yl] acetate
 related_synonym: Formula=C22H20O6;   InChI=1S/C22H20O6/c1-12(23)26-16-9-8-15(25)21-20(16)14(24)10-11-22(21)27-17-6-2-4-13-5-3-7-18(28-22)19(13)17/h2-11,14-16,20-21,24-25H,1H3/t14-,15+,16-,20+,21+/m0/s1;   InChIKey=FRGSTJNRJXFGJS-NUJXGAOPSA-N;   SMILES=O=C(O[C@H]1C=C[C@@H](O)[C@@H]2[C@@H]1[C@@H](O)C=CC23OC=4C=5C(C=CC4)=CC=CC5O3)C
 xref: Chemspider:17214281



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26089
    chemical entity 26068
      molecular entity 26046
        polyatomic entity 25926
          molecule 25295
            cyclic compound 24299
              bicyclic compound 18681
                carbobicyclic compound 5981
                  naphthalenes 3839
                    Decaspirone B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26089
    subatomic particle 26064
      composite particle 26064
        hadron 26064
          baryon 26064
            nucleon 26064
              atomic nucleus 26064
                atom 26064
                  main group element atom 25891
                    p-block element atom 25891
                      carbon group element atom 25478
                        carbon atom 25437
                          organic molecular entity 25437
                            organic molecule 25250
                              organic cyclic compound 24298
                                carbocyclic compound 22060
                                  carbopolycyclic compound 19852
                                    carbobicyclic compound 5981
                                      naphthalenes 3839
                                        Decaspirone B 0
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