Identification

PhytoHub ID
PHUB002238
Name
4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide
Systematic Name
4-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-3'-glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
402.352
Monoisotopic Mass
402.116211528
Chemical Formula
C17H22O11
IUPAC Name
Not Available
InChI Key
BKJQCPDRWDNBIN-NMKWKLTFNA-N
InChI Identifier
InChI=1/C17H22O11/c18-8(2-4-11(20)21)5-7-1-3-9(19)10(6-7)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h1,3,6,8,12-15,17-19,22-24H,2,4-5H2,(H,20,21)(H,25,26)/t8-,12?,13?,14?,15?,17?/s2
SMILES
O[C@H](CCC(O)=O)CC1=CC=C(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Apple Flavan-3-ols 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronidehumanurinehost-gut microbiota co-metaboliteNot AvailableNot Available<1%C17H22O11402.116211528 Detailed Intervention Studies Publications
Cocoa Flavan-3-ols 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronideNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC17H22O11402.116211528 Detailed Intervention Studies
(-)-Epicatechin 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronidehumanurinehost-gut microbiota co-metaboliteNot AvailableNot Available<1%C17H22O11402.116211528 Publications

Inter-Individual Variations in Metabolism

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