Identification

PhytoHub ID
PHUB001081
Name
Eriodictyol 7-O-glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
464.379
Monoisotopic Mass
464.095476084
Chemical Formula
C21H20O12
IUPAC Name
eriodictyol 7-glucuronide
InChI Key
YSORAXGDTRAEMV-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C21H20O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-5,13,16-19,21-24,26-28H,6H2,(H,29,30)
SMILES
OC1C(O)C(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.90e+00 g/l
LogS (ALOGPS)
-2.39
LogP (ALOGPS)
1.11
Hydrogen Acceptors
12
Hydrogen Donors
7
Rotatable Bond Count
4
Polar Surface Area
203.43999999999994
Refractivity
105.28249999999998
Polarizability
43.907579965341796
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.686826778063371
pKa (strongest acidic)
2.731713856325965
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Precursor Taxonomy

PrecursorFamilyClassSub-class
EriocitrinPolyphenolsFlavonoidsFlavanonesShow Precursor
EriodictyolPolyphenolsFlavonoidsFlavanonesShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
EriocitrinLemonFruit, Citrus PublicationsShow
EriocitrinLimeFruit, Citrus PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Eriocitrin Eriodictyol 7-O-glucuronideraturineC21H20O12464.095476084 Publications
Eriodictyol Eriodictyol 7-O-glucuronidehuman raturine (major)C21H20O12464.095476084 Publications
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