CHEBI:134255 - 5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone

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ChEBI Name 5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone ChEBI ID CHEBI:134255 ChEBI ASCII Name 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone Definition A butan-4-olide that is γ-valerolactone in which one of the methyl hydrogens has been replaced by a 3,4,5-trihydroxyphenyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C11H12O5 Net Charge 0 Average Mass 224.210 Monoisotopic Mass 224.06847 InChI InChI=1S/C11H12O5/c12-8-4-6(5-9(13)11(8)15)3-7-1-2-10(14)16-7/h4-5,7,12-13,15H,1-3H2 InChIKey CZVAQLJEUUFQCH-UHFFFAOYSA-N SMILES C=1C(=CC(=C(C1O)O)O)CC2CCC(O2)=O Metabolite of Species Details Homo Sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study Homo Sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: DOI Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone (CHEBI:134255) has functional parent γ-valerolactone (CHEBI:48569) 5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone (CHEBI:134255) has role human urinary metabolite (CHEBI:84087) 5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone (CHEBI:134255) is a benzenetriol (CHEBI:22707) 5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone (CHEBI:134255) is a butan-4-olide (CHEBI:22950) IUPAC Name 5-[(3,4,5-trihydroxyphenyl)methyl]oxolan-2-one Manual Xref Database HMDB0041691 HMDB View more database links Registry Number Type Source 8916585 Reaxys Registry Number Reaxys Citations Types Sources 11409941 PubMed citation Europe PMC 12189193 PubMed citation Europe PMC 18433082 PubMed citation Europe PMC Last Modified 23 June 2017