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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:genistin 7-O-gentiobioside
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Accession:CHEBI:145776 term browser browse the term
Definition:A glycosyloxyisoflavone that is genistein substituted by a 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside group at position 7.
Synonyms:exact_synonym: 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
 related_synonym: 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside;   Formula=C27H30O15;   InChI=1S/C27H30O15/c28-7-16-20(32)22(34)24(36)26(41-16)39-9-17-21(33)23(35)25(37)27(42-17)40-12-5-14(30)18-15(6-12)38-8-13(19(18)31)10-1-3-11(29)4-2-10/h1-6,8,16-17,20-30,32-37H,7,9H2/t16-,17-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1;   InChIKey=YKBIHKIVJICDCU-UMUUNPGWSA-N;   SMILES=C12=C(C(C(C3=CC=C(O)C=C3)=CO1)=O)C(=CC(=C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O;   genistein 7-O-gentiobioside;   genistein 7-gentiobioside;   genistin 7-gentiobioside
 xref: MetaCyc:CPD-14848;   PMID:19561332;   PMID:23265491;   PMID:29509670;   PMID:30241372


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  CHEBI ontology 19932
    role 19904
      application 19741
        pharmaceutical 19579
          drug 19579
            antineoplastic agent 17820
              genistein 3622
                genistin 7-O-gentiobioside 0
Path 2
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  CHEBI ontology 19932
    subatomic particle 19930
      composite particle 19930
        hadron 19930
          baryon 19930
            nucleon 19930
              atomic nucleus 19930
                atom 19930
                  main group element atom 19876
                    p-block element atom 19876
                      carbon group element atom 19816
                        carbon atom 19812
                          organic molecular entity 19812
                            organic molecule 19764
                              organic cyclic compound 19553
                                organic heterocyclic compound 18905
                                  oxacycle 17908
                                    benzopyran 11984
                                      1-benzopyran 11738
                                        isoflavonoid 3835
                                          isoflavones 3816
                                            hydroxyisoflavone 3749
                                              7-hydroxyisoflavones 3727
                                                genistein 3622
                                                  genistin 7-O-gentiobioside 0
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