1.0 2010-04-08 22:09:29 UTC 2019-11-26 03:04:36 UTC FDB011138 Methyl salicylate glucoside Constituent of purple passion fruit (Passiflora edulis) and other Passiflora subspecies Methyl salicylate glucoside is found in fruits. 2-Hydroxy-1,4-benzenedicarboxylic acid 2-Hydroxyterephthalic acid Hydroxyterephthalic acid Methyl 2-hydroxybenzoate O-b-D-glucopyranoside Methyl salicylate glucoside Methyl salicylate O-b-D-glucopyranoside C14H18O8 314.2879 314.100167552 methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate 10019-60-0 COC(=O)C1=CC=CC=C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C14H18O8/c1-20-13(19)7-4-2-3-5-8(7)21-14-12(18)11(17)10(16)9(6-15)22-14/h2-5,9-12,14-18H,6H2,1H3 ONKIQNFPVXNOBV-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 acid esters Benzoyl derivatives Hexoses Hydrocarbon derivatives Methyl esters 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 Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Hexose monosaccharide Hydrocarbon derivative Methyl ester 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 -0.90 ALOGPS logs -1.30 ALOGPS solubility 1.59e+01 g/l ALOGPS melting_point Mp 106-108° logp -0.59 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate ChemAxon average_mass 314.2879 ChemAxon mono_mass 314.100167552 ChemAxon smiles COC(=O)C1=CC=CC=C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C14H18O8 ChemAxon inchi InChI=1S/C14H18O8/c1-20-13(19)7-4-2-3-5-8(7)21-14-12(18)11(17)10(16)9(6-15)22-14/h2-5,9-12,14-18H,6H2,1H3 ChemAxon inchikey ONKIQNFPVXNOBV-UHFFFAOYSA-N ChemAxon polar_surface_area 125.68 ChemAxon refractivity 72.21 ChemAxon polarizability 30.1 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20080 Specdb::CMs 43113 Specdb::CMs 165120 Specdb::NmrOneD 118278 Specdb::NmrOneD 118279 Specdb::NmrOneD 118280 Specdb::NmrOneD 118281 Specdb::NmrOneD 118282 Specdb::NmrOneD 118283 Specdb::NmrOneD 118284 Specdb::NmrOneD 118285 Specdb::NmrOneD 118286 Specdb::NmrOneD 118287 Specdb::NmrOneD 118288 Specdb::NmrOneD 118289 Specdb::NmrOneD 118290 Specdb::NmrOneD 118291 Specdb::NmrOneD 118292 Specdb::NmrOneD 118293 Specdb::NmrOneD 118294 Specdb::NmrOneD 118295 Specdb::NmrOneD 118296 Specdb::NmrOneD 118297 Specdb::MsMs 104370 Specdb::MsMs 104371 Specdb::MsMs 104372 Specdb::MsMs 170634 Specdb::MsMs 170635 Specdb::MsMs 170636 Specdb::MsMs 2693869 Specdb::MsMs 2693870 Specdb::MsMs 2693871 Specdb::MsMs 2985170 Specdb::MsMs 2985171 Specdb::MsMs 2985172 HMDB33137 #<Reference:0x000055ce33419d10> Fruits Unknown generic