1.0 2011-03-17 23:25:12 UTC 2025-11-19 02:38:46 UTC FDB021634 4-Hydroxybenzoic acid glucoside 4-hydroxybenzoic acid glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 4-hydroxybenzoic acid glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). 4-hydroxybenzoic acid glucoside can be found in a number of food items such as highbush blueberry, jostaberry, caraway, and carrot, which makes 4-hydroxybenzoic acid glucoside a potential biomarker for the consumption of these food products. 4-Glucosyloxybenzoic acid 4-Hydroxybenzoic acid glucoside C13H16O8 300.263 300.084517475 4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid 4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid 15397-25-8 OCC1OC(OC2=CC=C(C=C2)C(O)=O)C(O)C(O)C1O InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19) XSSDYIMYZONMBL-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Benzoic acids Benzoyl derivatives Carboxylic acids Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Secondary alcohols Sugar acids and derivatives Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Hexose monosaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Sugar acid solid logp -0.99 ALOGPS logs -1.30 ALOGPS solubility 1.52e+01 g/l ALOGPS melting_point Mp 117-143?.; Mp 211-212? logp -0.94 ChemAxon pka_strongest_acidic 4.32 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid ChemAxon average_mass 300.263 ChemAxon mono_mass 300.084517475 ChemAxon smiles OCC1OC(OC2=CC=C(C=C2)C(O)=O)C(O)C(O)C1O ChemAxon formula C13H16O8 ChemAxon inchi InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19) ChemAxon inchikey XSSDYIMYZONMBL-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 67.44 ChemAxon polarizability 28.36 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5659 Specdb::MsMs 240079 Specdb::MsMs 240080 Specdb::MsMs 240081 Specdb::MsMs 242134 Specdb::MsMs 242135 Specdb::MsMs 242136 Specdb::MsMs 3606649 Specdb::MsMs 3606650 Specdb::MsMs 3606651 Specdb::MsMs 3606652 Specdb::MsMs 3606653 Specdb::MsMs 3606654 Anise Type 1 specific Pimpinella anisum 271192 Blackberry Type 1 specific Rubus Blackcurrant Type 1 specific Ribes nigrum 78511 0.733333 0.733333319 0.733333319 mg/100 g Caraway Type 1 specific Carum carvi 48032 Carrot Type 1 specific Daucus carota ssp. sativus 79200 1.1 1.1 1.1 mg/100 g Coriander Type 1 specific Coriandrum sativum 4047 Fennel Type 1 specific Foeniculum vulgare 48038 Gooseberry Type 1 specific Ribes uva-crispa 135518 1.15 1.149999976 1.149999976 mg/100 g Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.55 0.550000012 0.550000012 mg/100 g Jostaberry Type 1 specific Ribes × nidigrolaria 1.0 1.0 1.0 mg/100 g Parsley Type 1 specific Petroselinum crispum 4043 0.3 0.3 0.3 mg/100 g Red raspberry Type 1 specific Rubus idaeus 32247 Redcurrant Type 1 specific Ribes rubrum 175228 1.033333 1.033333302 1.033333302 mg/100 g Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 1.133333 1.133333306 1.133333306 mg/100 g Star anise Type 1 specific Illicium verum 124778 Strawberry Type 1 specific Fragaria X ananassa 3747 1.533333 1.533333381 1.533333381 mg/100 g Wild carrot Type 1 specific Daucus carota 4039 1.1 1.1 1.1 mg/100 g Wild celery Type 1 specific Apium graveolens 4045