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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:Millettone
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Accession:CHEBI:6937 term browser browse the term
Definition:An isoflavanone that has formula C22H18O6.
Synonyms:related_synonym: Formula=C22H18O6;   InChI=1S/C22H18O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8,18-19H,9-10H2,1-2H3/t18-,19+/m1/s1;   InChIKey=TXNSUHKZCOMFPN-MOPGFXCFSA-N;   SMILES=CC1(C)Oc2ccc3C(=O)[C@@H]4[C@@H](COc5cc6OCOc6cc45)Oc3c2C=C1
 xref: CAS:50376-38-0;   KEGG:C10506;   KNApSAcK:C00002550


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5067
    chemical entity 5067
      group 5046
        inorganic group 4858
          oxo group 4656
            organic oxo compound 4656
              carbonyl compound 4656
                ketone 4360
                  cyclic ketone 4346
                    isoflavanones 0
                      Millettone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5067
    subatomic particle 5058
      composite particle 5058
        hadron 5058
          baryon 5058
            nucleon 5058
              atomic nucleus 5058
                atom 5058
                  main group element atom 5028
                    p-block element atom 5025
                      carbon group element atom 4942
                        carbon atom 4941
                          organic molecular entity 4941
                            organic molecule 4889
                              organic cyclic compound 4828
                                organic heterocyclic compound 4617
                                  oxacycle 4535
                                    benzopyran 141
                                      1-benzopyran 78
                                        isoflavonoid 6
                                          isoflavans 0
                                            isoflavanones 0
                                              Millettone 0
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