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Myricetin (PC001096)

Record Information
Version1.0
Creation date2018-04-10 12:13:00 UTC
Update date2018-04-17 12:32:28 UTC
FoodComEx IDPC001096
FoodDB RecordFDB012724
Chemical Information
NameMyricetin
DescriptionMyricetin is a naturally occurring flavonol, a flavonoid found in many grapes, berries and walnuts.
CAS Number529-44-2
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-onebiospider
3,3',4',5,5',7-Hexahydroxy-(8ci)- flavoneHMDB
3,3',4',5,5',7-HexahydroxyflavoneChEBI
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one, 9CIdb_source
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-onebiospider
3,5,7,3',4',5'-hexahydroxyflavonebiospider
3',4',5,5',7-Pentahydroxyflavonoldb_source
Cannabiscetindb_source
Flavone, 3,3',4',5,5',7-hexahydroxy-biospider
Myricetindb_source
Myricetoldb_source
Myricitinbiospider
Chemical FormulaC15H10O8
IUPAC name3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
InChI IdentifierInChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
InChI KeyIKMDFBPHZNJCSN-UHFFFAOYSA-N
Isomeric SMILESOC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1
Average Molecular Weight318.2351
Monoisotopic Molecular Weight318.037567296
Chemical Taxonomy
ClassPolyphenols
FamilyFlavonols
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 357-360° dec.DFC
Foods of Origin
Grapes, berries and walnuts
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 5 mg
Delivery Time2 weeks
Storage Formpowder
Storage ConditionsRT
StabilityNot Available
Purity>90%
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Claudine ManachINRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122claudine.manach@inra.fr
Commercial Vendors
AKSci J10595
AKSci V0305
AKSci HMDB0002755
Cayman Chemical 10012600
Glentham GL5441
MetaSci HMDB0002755
Toronto Research Chemicals M884100