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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:epicatechin-3'-glucuronide
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Accession:CHEBI:149599 term browser browse the term
Synonyms:related_synonym: Formula=C21H22O12;   InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1;   InChIKey=BUONZQIZWIITTB-CVPXIJHMSA-N;   SMILES=O1[C@@H](OC=2C=C([C@H]3OC=4C(C[C@H]3O)=C(O)C=C(O)C4)C=CC2O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      chemical role 0
        antioxidant 0
          (-)-epicatechin 0
            epicatechin-3'-glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      carbohydrate derivative 0
                                        glycosyl compound 0
                                          glycoside 0
                                            glycosiduronic acid 0
                                              glucosiduronic acid 0
                                                beta-D-glucosiduronic acid 0
                                                  epicatechin-3'-glucuronide 0
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