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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:malonylgenistin
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Accession:CHEBI:80372 term browser browse the term
Definition:A glycosyloxyisoflavone that is genistin in which the hydroxy hydrogen at position 6'' has been replaced by a malonyl group.
Synonyms:exact_synonym: 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
 related_synonym: 6''-Malonylgenistin;   Formula=C24H22O13;   InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/t16-,21-,22+,23-,24-/m1/s1;   InChIKey=FRAUJUKWSKMNJY-RSEYPYQYSA-N;   SMILES=O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H]1O;   genistein 7-O-beta-D-glucoside 6''-O-malonate;   genistin malonate
 alt_id: CHEBI:133338
 xref: HMDB:HMDB0029529;   KEGG:C16192;   LIPID_MAPS_instance:LMPK12050173;   PMID:25070365;   PMID:25916398;   Reaxys:4896665


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5066
    role 5030
      biological role 5030
        epitope 34
          beta-D-glucose 9
            beta-D-glucoside 9
              malonylgenistin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    p-block element atom 5023
                      carbon group element atom 4940
                        carbon atom 4939
                          organic molecular entity 4939
                            heteroorganic entity 4779
                              organochalcogen compound 4741
                                organooxygen compound 4703
                                  carbohydrates and carbohydrate derivatives 123
                                    carbohydrate 123
                                      monosaccharide 48
                                        aldose 25
                                          aldohexose 21
                                            glucose 21
                                              D-glucose 21
                                                D-glucopyranose 13
                                                  beta-D-glucose 9
                                                    beta-D-glucoside 9
                                                      7-hydroxyisoflavones 7-O-beta-D-glucoside 0
                                                        genistein 7-O-beta-D-glucoside 0
                                                          malonylgenistin 0
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