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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:isoscutellarein glycoside
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Accession:CHEBI:66085 term browser browse the term
Definition:A C-glycosyl compound that is isoscutellarein attached to a beta-D-glucopyranosyl moiety at position 6 via a C-glycosidic linkage. Isolated from the rhizomes of Iris pseudopumila, it exhibits antioxidant activity.
Synonyms:exact_synonym: (1S)-1,5-anhydro-1-[5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
 related_synonym: Formula=C21H20O11;   InChI=1S/C21H20O11/c22-6-11-14(25)17(28)19(30)21(32-11)13-15(26)12-9(24)5-10(7-1-3-8(23)4-2-7)31-20(12)18(29)16(13)27/h1-5,11,14,17,19,21-23,25-30H,6H2/t11-,14-,17+,19-,21+/m1/s1;   InChIKey=RKEQWDAUYLDNEU-DSTJRUDUSA-N;   SMILES=[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1c(O)c(O)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1;   isoscutellarein-6-C-beta-D-glucopyranoside
 xref: PMID:17315314;   Reaxys:11109929


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  CHEBI ontology 880
    role 860
      chemical role 643
        antioxidant 307
          isoscutellarein glycoside 0
Path 2
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  CHEBI ontology 880
    subatomic particle 865
      composite particle 865
        hadron 865
          baryon 865
            nucleon 865
              atomic nucleus 865
                atom 865
                  main group element atom 855
                    p-block element atom 852
                      carbon group element atom 828
                        carbon atom 827
                          organic molecular entity 827
                            organic molecule 739
                              organic cyclic compound 648
                                organic heterocyclic compound 362
                                  oxacycle 258
                                    benzopyran 119
                                      1-benzopyran 69
                                        flavonoid 33
                                          flavones 24
                                            hydroxyflavone 22
                                              trihydroxyflavone 3
                                                apigenin 3
                                                  isoscutellarein 0
                                                    isoscutellarein glycoside 0
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