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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:3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one
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Accession:CHEBI:141415 term browser browse the term
Definition:A carbobicyclic compound that is 4-hydroxybicyclo[3.2.1]oct-3-en-2-one in which position 3 is substituted by a 2-chloro-4-(methylsulfonyl)benzoyl group.
Synonyms:related_synonym: Formula=C16H15ClO5S;   InChI=1S/C16H15ClO5S/c1-23(21,22)10-4-5-11(12(17)7-10)16(20)13-14(18)8-2-3-9(6-8)15(13)19/h4-5,7-9,18H,2-3,6H2,1H3;   InChIKey=SGSXVTQBXFCKBP-UHFFFAOYSA-N;   SMILES=C1CC2C(C(=C(C1C2)O)C(C3=CC=C(C=C3Cl)S(C)(=O)=O)=O)=O


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    chemical entity 26024
      molecular entity 25991
        polyatomic entity 25876
          heteroatomic molecular entity 25527
            hydroxides 24049
              organic hydroxy compound 22060
                enol 757
                  3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one 0
                    (1R,5S)-benzobicyclon hydrolysate + 0
                    (1S,5R)-benzobicyclon hydrolysate + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            organic molecule 25222
                              organic cyclic compound 24274
                                carbocyclic compound 22040
                                  benzenoid aromatic compound 20099
                                    benzenes 19797
                                      chlorobenzenes 15570
                                        monochlorobenzenes 12175
                                          3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one 0
                                            (1R,5S)-benzobicyclon hydrolysate + 0
                                            (1S,5R)-benzobicyclon hydrolysate + 0
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