Identification

PhytoHub ID
PHUB001309
Name
Hydroquinone glucuronide
Systematic Name
Synonyms
Not Available
CAS Number
Not Available
Average Mass
286.236
Monoisotopic Mass
286.068867411
Chemical Formula
C12H14O8
IUPAC Name
Not Available
InChI Key
KCWGTTYNHQOGSJ-GOVZDWNOSA-N
InChI Identifier
InChI=1S/C12H14O8/c13-5-1-3-6(4-2-5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
SMILES
O[[email protected]@H]1[[email protected]@H](O)[[email protected]](OC2=CC=C(O)C=C2)O[[email protected]@H]([[email protected]]1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
8
Hydrogen Donors
5
Rotatable Bond Count
3
Polar Surface Area
136.68
Refractivity
62.03160000000002
Polarizability
26.022761704282402
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.68682676142487
pKa (strongest acidic)
3.078385532042692

Precursor Taxonomy

PrecursorFamilyClassSub-class
ArbutinPolyphenolsPhenolic acidsMiscellaneous phenolic acidsShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
ArbutinPearFruit, Pomes PublicationsShow
ArbutinSweet marjoramHerbs and Spices PublicationsShow
ArbutinWheat germCereals and cereal products PublicationsShow
ArbutinWhole wheat breadCereals and cereal products PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Arbutin Hydroquinone glucuronidehumanurineC12H14O8286.068867411 Publications
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