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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:isoformononetin
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Accession:CHEBI:29608 term browser browse the term
Definition:A methoxyisoflavone that is isoflavone substituted at positions 4' and 7 by hydroxy and methoxy groups respectively.
Synonyms:exact_synonym: 3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one
 related_synonym: 4'-Hydroxy-7-methoxyisoflavone;   7-O-methyldaidzein;   Formula=C16H12O4;   InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3;   InChIKey=LNIQZRIHAMVRJA-UHFFFAOYSA-N;   SMILES=COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
 alt_id: CHEBI:74940
 xref: CAS:486-63-5;   DrugBank:DB04202;   HMDB:HMDB0033994;   KEGG:C12125;   KNApSAcK:C00009382;   LIPID_MAPS_instance:LMPK12050039;   MetaCyc:CPD-3343;   PDBeChem:HMO;   PMID:11006341;   PMID:11129614;   PMID:15896369;   PMID:17707445;   PMID:19598169;   PMID:20395887;   PMID:23395215;   Reaxys:251318


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19757
      biological role 19757
        biochemical role 19377
          metabolite 19352
            isoformononetin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19807
      composite particle 19807
        hadron 19807
          baryon 19807
            nucleon 19807
              atomic nucleus 19807
                atom 19807
                  main group element atom 19704
                    p-block element atom 19704
                      carbon group element atom 19626
                        carbon atom 19616
                          organic molecular entity 19616
                            organic group 18725
                              organic divalent group 18716
                                organodiyl group 18716
                                  carbonyl group 18664
                                    carbonyl compound 18664
                                      ketone 16925
                                        cyclic ketone 15395
                                          isoflavones 3757
                                            hydroxyisoflavone 3690
                                              7-hydroxyisoflavones 3669
                                                daidzein 244
                                                  isoformononetin 0
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