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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:formononetin 7-O-glucoside-6''-O-malonate
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Accession:CHEBI:80389 term browser browse the term
Definition:A glycosyloxyisoflavone that is formononetin attached to a 6-O-(carboxyacetyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
Synonyms:exact_synonym: 3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside;   7-hydroxy-4'-methoxyisoflavone 7-O-beta-(6'-O-malonylglucoside)
 related_synonym: Formula=C25H24O12;   InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)/t18-,22-,23+,24-,25-/m1/s1;   InChIKey=RDTAGQKYPGLCBK-GOZZSVHWSA-N;   SMILES=C1(=CC=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)OC)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(CC(O)=O)=O
 xref: HMDB:HMDB0029493;   KEGG:C16222;   KNApSAcK:C00010083;   LIPID_MAPS_instance:LMPK12050020;   PMID:12232319;   Reaxys:7156324

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  CHEBI ontology 19816
    role 19764
      biological role 19764
        biochemical role 19313
          metabolite 19294
            eukaryotic metabolite 18943
              plant metabolite 17424
                formononetin 7-O-glucoside-6''-O-malonate 0
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  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic group 18537
                              organic divalent group 18530
                                organodiyl group 18530
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      ketone 16173
                                        cyclic ketone 13877
                                          isoflavones 3736
                                            hydroxyisoflavone 3669
                                              7-hydroxyisoflavones 3654
                                                daidzein 243
                                                  formononetin 32
                                                    formononetin 7-O-glucoside-6''-O-malonate 0
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