1.0 2010-04-08 22:15:31 UTC 2019-11-26 03:20:01 UTC FDB021183 Salicylic acid glucoside Constituent of various plant subspecies e.g. white mustard seed (Sinapis alba), bell pepper (Capsicum annuum) and leaves of thyme, rosemary, basil and sweet marjoram. Salicylic acid glucoside is found in many foods, some of which are herbs and spices, yellow bell pepper, orange bell pepper, and red bell pepper. 2-(beta-D-Glucopyranosyloxy)-benzoic acid Benzoic acid, 2-(beta-D-glucopyranosyloxy)- Salicylic acid b-D-glucoside Salicylic acid beta-D-glucoside Salicylic acid beta-glucoside Salicylic acid glucoside C13H16O8 300.2613 300.084517488 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid 10366-91-3 OCC1OC(OC2=CC=CC=C2C(O)=O)C(O)C(O)C1O InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19) TZPBMNKOLMSJPF-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 logp -1.21 ALOGPS logs -1.16 ALOGPS solubility 2.06e+01 g/l ALOGPS melting_point Mp 162-165° (Na salt) logp -0.94 ChemAxon pka_strongest_acidic 3.65 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid ChemAxon average_mass 300.2613 ChemAxon mono_mass 300.084517488 ChemAxon smiles OCC1OC(OC2=CC=CC=C2C(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)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19) ChemAxon inchikey TZPBMNKOLMSJPF-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 67.44 ChemAxon polarizability 27.94 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 318367 Specdb::MsMs 318368 Specdb::MsMs 318369 Specdb::MsMs 365110 Specdb::MsMs 365111 Specdb::MsMs 365112 Specdb::MsMs 2239932 Specdb::MsMs 2841759 Specdb::MsMs 2841760 Specdb::MsMs 2841761 Specdb::MsMs 2864172 Specdb::MsMs 2864173 Specdb::MsMs 2864174 Specdb::CMs 23616 Specdb::CMs 47216 Specdb::CMs 159143 Specdb::NmrOneD 45882 Specdb::NmrOneD 45883 Specdb::NmrOneD 45884 Specdb::NmrOneD 45885 Specdb::NmrOneD 45886 Specdb::NmrOneD 45887 Specdb::NmrOneD 45888 Specdb::NmrOneD 45889 Specdb::NmrOneD 45890 Specdb::NmrOneD 45891 Specdb::NmrOneD 45892 Specdb::NmrOneD 45893 Specdb::NmrOneD 45894 Specdb::NmrOneD 45895 Specdb::NmrOneD 45896 Specdb::NmrOneD 45897 Specdb::NmrOneD 45898 Specdb::NmrOneD 45899 Specdb::NmrOneD 45900 Specdb::NmrOneD 45901 HMDB41271 #<Reference:0x000055ce31dd5450> Green bell pepper Type 1 specific Capsicum annuum 4072 Herbs and Spices Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072