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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:2',6'-dimethoxy-4'-hydroxyacetophenone
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Accession:CHEBI:27769 term browser browse the term
Definition:A monohydroxyacetophenone that is acetophenone substituted by methoxy groups at positions 2' and 6' and a hydroxy group at position 4'.
Synonyms:exact_synonym: 1-(4-hydroxy-2,6-dimethoxyphenyl)ethan-1-one
 related_synonym: Formula=C10H12O4;   InChI=1S/C10H12O4/c1-6(11)10-8(13-2)4-7(12)5-9(10)14-3/h4-5,12H,1-3H3;   InChIKey=AZRTXUQINTVMDW-UHFFFAOYSA-N;   SMILES=COc1cc(O)cc(OC)c1C(C)=O
 alt_id: CHEBI:19224;   CHEBI:833
 xref: CAS:13246-14-5;   KEGG:C10684;   KNApSAcK:C00002695;   Reaxys:2265937


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            eukaryotic metabolite 0
              plant metabolite 0
                2',6'-dimethoxy-4'-hydroxyacetophenone 0
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  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
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      methyl ketone 0
                                        acetophenones 0
                                          hydroxyacetophenone 0
                                            monohydroxyacetophenone 0
                                              2',6'-dimethoxy-4'-hydroxyacetophenone 0
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