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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:Dihydronaringenin-O-sulphate
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Accession:CHEBI:88749 term browser browse the term
Definition:A butanone that has formula C15H14O8S.
Synonyms:related_synonym: Formula=C15H14O8S;   InChI=1S/C15H14O8S/c16-10-7-13(18)15(14(19)8-10)12(17)6-3-9-1-4-11(5-2-9)23-24(20,21)22/h1-2,4-5,7-8,16,18-19H,3,6H2,(H,20,21,22);   InChIKey=IKBKWHISHDVLNO-UHFFFAOYSA-N;   SMILES=C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)OS(O)(=O)=O;   {4-[3-oxo-3-(2,4,6-trihydroxyphenyl)propyl]phenyl}oxidanesulfonic acid
 xref: HMDB:HMDB0059996;   PMID:22827565



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22188
    chemical entity 22187
      group 22082
        inorganic group 21027
          oxo group 20159
            organic oxo compound 20159
              carbonyl compound 20159
                ketone 17963
                  butanone 11
                    Dihydronaringenin-O-sulphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22188
    subatomic particle 22180
      composite particle 22180
        hadron 22180
          baryon 22180
            nucleon 22180
              atomic nucleus 22180
                atom 22180
                  main group element atom 22114
                    p-block element atom 22114
                      carbon group element atom 21915
                        carbon atom 21840
                          organic molecular entity 21840
                            organic group 20283
                              organic divalent group 20165
                                organodiyl group 20165
                                  carbonyl group 20159
                                    carbonyl compound 20159
                                      ketone 17963
                                        butanone 11
                                          Dihydronaringenin-O-sulphate 0
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