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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:8-(3-chlorostyryl)caffeine
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Accession:CHEBI:53115 term browser browse the term
Definition:Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.
Synonyms:exact_synonym: 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
 related_synonym: CSC;   Formula=C16H15ClN4O2;   InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+;   InChIKey=WBWFIUAVMCNYPG-BQYQJAHWSA-N;   SMILES=Cn1c(\\C=C\\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
 xref: Beilstein:8153842;   CAS:147700-11-6
 xref_mesh: MESH:C081320

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  CHEBI ontology 0
    role 0
      biological role 0
        xenobiotic 0
          caffeine 0
            8-(3-chlorostyryl)caffeine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteropolycyclic compound 0
                                    organic heterobicyclic compound 0
                                      imidazopyrimidine 0
                                        purines 0
                                          aminopurine 0
                                            2-aminopurines 0
                                              guanine 0
                                                xanthine 0
                                                  methylxanthine 0
                                                    trimethylxanthine 0
                                                      caffeine 0
                                                        8-(3-chlorostyryl)caffeine 0
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