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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:16-epiestriol 16-O-(beta-D-glucuronide)
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Accession:CHEBI:137723 term browser browse the term
Definition:A steroid glucosiduronic acid that is 16-epiestriol having a single beta-D-glucuronic acid residue attached at position 16.
Synonyms:exact_synonym: 3,17beta-dihydroxyestra-1(10),2,4-trien-16beta-yl beta-D-glucopyranosiduronic acid
 related_synonym: (16beta,17beta)-3,17-dihydroxyestra-1(10),2,4-trien-16-yl beta-D-glucopyranosiduronic acid;   16beta,17beta-estriol 16-O-(beta-D-glucuronide);   16beta,17beta-estriol 16-beta-D-glucuronide;   16beta-hydroxyestradiol 16-beta-D-glucuronide;   Formula=C24H32O9;   InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16+,17+,18+,19-,20+,21+,23-,24+/m1/s1;   InChIKey=FQYGGFDZJFIDPU-FFLBMIEMSA-N;   SMILES=C1=C2C(CC[C@]3([C@@]4(C[C@@H]([C@@H]([C@]4(CC[C@@]32[H])C)O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])[H])=CC(=C1)O
 xref: PMID:23288867;   Reaxys:23416855
 cyclic_relationship: is_conjugate_acid_of CHEBI:136886


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      application 19494
        anti-inflammatory agent 14992
          anti-inflammatory drug 13635
            16beta-hydroxyestradiol 0
              16-epiestriol 16-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            heteroorganic entity 19248
                              organochalcogen compound 18956
                                organooxygen compound 18879
                                  carbohydrates and carbohydrate derivatives 12268
                                    carbohydrate 12268
                                      carbohydrate derivative 11894
                                        glycosyl compound 10944
                                          glycoside 9227
                                            glycosiduronic acid 141
                                              glucosiduronic acid 141
                                                beta-D-glucosiduronic acid 47
                                                  16-epiestriol 16-O-(beta-D-glucuronide) 0
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