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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Definition:A butan-4-olide that is 5-(3'-hydroxyphenyl)-gamma-valerolactone in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue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 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            eukaryotic metabolite 0
              animal metabolite 0
                mammalian metabolite 0
                  human metabolite 0
                    human urinary metabolite 0
                      5-(3'-hydroxyphenyl)-gamma-valerolactone-3'-O-beta-D-glucuronide 0
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  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
                                                  5-(3'-hydroxyphenyl)-gamma-valerolactone-3'-O-beta-D-glucuronide 0
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