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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:5-(3'-hydroxyphenyl)-gamma-valerolactone-3'-O-beta-D-glucuronide
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Accession:CHEBI:88746 term browser browse the term
Definition:A butan-4-olide that is 5-(3'-hydroxyphenyl)-gamma-valerolactone in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue
Synonyms:exact_synonym: 3-[(5-oxooxolan-2-yl)methyl]phenyl beta-D-glucopyranosiduronic acid
 related_synonym: 5-(3'-hydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide;   Formula=C17H20O9;   InChI=1S/C17H20O9/c18-11-5-4-10(24-11)7-8-2-1-3-9(6-8)25-17-14(21)12(19)13(20)15(26-17)16(22)23/h1-3,6,10,12-15,17,19-21H,4-5,7H2,(H,22,23)/t10?,12-,13-,14+,15-,17+/m0/s1;   InChIKey=DPSUQBKEHXAIDY-YHNANPAJSA-N;   SMILES=C=1(C=C(C=CC1)CC2CCC(O2)=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(O)=O)O)O)O
 xref: HMDB:HMDB0059991;   PMID:22827565


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  CHEBI ontology 19875
    role 19825
      biological role 19825
        biochemical role 19360
          metabolite 19341
            eukaryotic metabolite 18998
              animal metabolite 18801
                mammalian metabolite 18800
                  human metabolite 18299
                    human urinary metabolite 6866
                      5-(3'-hydroxyphenyl)-gamma-valerolactone-3'-O-beta-D-glucuronide 0
Path 2
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  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
                                                  5-(3'-hydroxyphenyl)-gamma-valerolactone-3'-O-beta-D-glucuronide 0
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