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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:1,1-dihydroxy-3-ethoxy-2-butanone
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Accession:CHEBI:59052 term browser browse the term
Definition:A butanone derivative having two hydroxy substituents at the 1-position and an ethoxy substituent at the 3-position.
Synonyms:exact_synonym: 3-ethoxy-1,1-dihydroxybutan-2-one
 related_synonym: Chetossale;   Formula=C6H12O4;   InChI=1S/C6H12O4/c1-3-10-4(2)5(7)6(8)9/h4,6,8-9H,3H2,1-2H3;   InChIKey=YRCRRHNVYVFNTM-UHFFFAOYSA-N;   SMILES=CCOC(C)C(=O)C(O)O;   beta-Ethoxy-alpha-ketobutyraldehyde;   kethoxal;   ketoxalum
 xref: Beilstein:8677948;   CAS:27762-78-3;   Drug_Central:3202;   KEGG:D04651


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  CHEBI ontology 19840
    role 19790
      application 19464
        pharmaceutical 19337
          drug 19337
            antiinfective agent 13431
              1,1-dihydroxy-3-ethoxy-2-butanone 0
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  CHEBI ontology 19840
    subatomic particle 19838
      composite particle 19838
        hadron 19838
          baryon 19838
            nucleon 19838
              atomic nucleus 19838
                atom 19838
                  main group element atom 19730
                    p-block element atom 19730
                      carbon group element atom 19635
                        carbon atom 19624
                          organic molecular entity 19624
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      ketone 16187
                                        butanone 8
                                          1,1-dihydroxy-3-ethoxy-2-butanone 0
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