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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 Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      molecular entity 2
        polyatomic entity 2
          molecule 2
            cyclic compound 2
              bicyclic compound 0
                carbobicyclic compound 0
                  naphthalenes 0
                    Decaspirone B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            organic molecule 2
                              organic cyclic compound 2
                                carbocyclic compound 1
                                  carbopolycyclic compound 0
                                    carbobicyclic compound 0
                                      naphthalenes 0
                                        Decaspirone B 0
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