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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-bromoethyl)-5,5-dimethyldihydro-2(3H)-furanone
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Accession:CHEBI:61539 term browser browse the term
Definition:A butan-4-olide having a 2-bromoethyl group at the 3-position and two methyl substituents at the 5-position.
Synonyms:exact_synonym: 3-(2-bromoethyl)-5,5-dimethyldihydrofuran-2(3H)-one
 related_synonym: 3-(2-bromoethyl)-5,5-dimethylbutyrolactone;   3-(2-bromoethyl)dihydro-5,5-dimethyl-2(3H)-furanone;   3-(bromoethyl)-5,5-dimethyldihydro-2(3H)-furanone;   Formula=C8H13BrO2;   InChI=1S/C8H13BrO2/c1-8(2)5-6(3-4-9)7(10)11-8/h6H,3-5H2,1-2H3;   InChIKey=MNAISORFCPZIGZ-UHFFFAOYSA-N;   SMILES=CC1(C)CC(CCBr)C(=O)O1
 xref: PMID:8075360;   PMID:8075361


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    chemical entity 19836
      molecular entity 19836
        polyatomic entity 19794
          heteroatomic molecular entity 19751
            halide 18656
              organohalogen compound 18530
                organobromine compound 6583
                  3-(2-bromoethyl)-5,5-dimethyldihydro-2(3H)-furanone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      carbon group element atom 19734
                        carbon atom 19731
                          organic molecular entity 19731
                            heteroorganic entity 19488
                              organochalcogen compound 19251
                                organooxygen compound 19168
                                  ester 17352
                                    carboxylic ester 16733
                                      lactone 13238
                                        gamma-lactone 6861
                                          butan-4-olide 309
                                            3-(2-bromoethyl)-5,5-dimethyldihydro-2(3H)-furanone 0
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