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

ChEBI IDCHEBI:134255
ChEBI Name5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone
Stars
ASCII Name5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone
DefinitionA butan-4-olide that is γ-valerolactone in which one of the methyl hydrogens has been replaced by a 3,4,5-trihydroxyphenyl group.
Last Modified23 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESO=C1CCC(Cc2cc(O)c(O)c(O)c2)O1
InChIInChI=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
InChIKeyCZVAQLJEUUFQCH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606)
urine (BTO:0001419) DOI (10.1007/s11306-015-0935-z)
urine (BTO:0001419) MetaboLights (MTBLS198)
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0041691HMDB
Registry NumbersSources
Reaxys:8916585Reaxys
Citations