Record Information
Version1.0
Creation date2016-09-20 08:54:05 UTC
Update date2017-01-17 13:45:24 UTC
FoodComEx IDPC001020
FoodDB RecordNot Available
Chemical Information
Name(R)-5-(3,5-dihydroxybenzyl)dihydrofuran-2(3H)-one O-glucuronide (a/b-D anomeric mixtures)
DescriptionPhenyl-γ-valerolactones are the main compounds derived from the metabolism of flavan-3-ol monomers (i.e. catechins) and oligomers (i.e. proanthocyanidins). This metabolite has hybrid (microbial-human) origin.
CAS Number1038922-84-7
Structure
Thumb
Synonyms
SynonymSource
(R)-5-(3,5-dihydroxybenzyl)dihydrofuran-2(3H)-one O-glucuronide (a/b-D anomeric mixtures)manual
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C17H20O10/c18-8-3-7(4-9-1-2-11(19)25-9)5-10(6-8)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h3,5-6,9,12-15,17-18,20-22H,1-2,4H2,(H,23,24)/t9-,12?,13?,14?,15?,17?/m1/s1
InChI KeyRUSMDDXSDLDLKU-HJFLZBCLSA-N
Isomeric SMILESOC1C(O)C(OC2=CC(O)=CC(C[C@H]3CCC(=O)O3)=C2)OC(C1O)C(O)=O
Average Molecular Weight384.337
Monoisotopic Molecular Weight384.105646844
Chemical Taxonomy
ClassFlavonoid
FamilyFlavan-3-ol
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
green tea and other sources of epigalo0catechins
Production Data
Production Methodchemical synthesis
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, in g
Delivery TimeVariable (enquire for details)
Storage Formamorphous solid
Storage Conditions-18°C
StabilityNot Available
Purity>90%
Spectra
Spectral Data Upon Request1H NMR, 13C NMR, ESI-MS
Provider Information
Contact NameContact InstitutionContact Email
Claudio CurtiUniversity of Parma, Department of Food and Drug, Parco Area delle Scienze 27A, Parma, IT, 43124 claudio.curti@unipr.it
Daniele Del RioUniversity of Parma/ University of Cambridge, Department of Food Science, via Università, 12, Parma, IT, 43121daniele.delrio@unipr.it
Pedro MenaUniversity of Parma, Department of Food & Drug, Via Volturno 39, Palazzina C, Parma, IT, 43125pedromiguel.menaparreno@unipr.it
Nicoletta BrindaniUniversity of Parma, Department of Pharmacy / Department of Food Science, Parco Area delle Scienze 27A, Parma, IT, 43124nicoletta.brindani@studenti.unipr.it