1.0 2010-04-08 22:13:14 UTC 2019-11-26 03:15:01 UTC FDB017666 3-Hydroxybenzyl alcohol glucoside Constituent of Sambucus nigra (elderberry). 3-Hydroxybenzyl alcohol glucoside is found in fruits. 3-(Hydroxymethyl)phenol 3-Hydroxy-benzenemethanol 3-Hydroxybenzenemethanol 3-Hydroxybenzyl alcohol 3-Hydroxybenzyl alcohol glucoside 3-Hydroxybenzylalcohol 3-Hydroxymethyl-phenol 3-Methylolphenol 3-OH-BENZYL-alcohol Benzenemethanol, 3-hydroxy- (9ci) Benzyl alcohol, m-hydroxy- (8ci) m-Hydroxy-benzyl alcohol m-Hydroxybenzyl alcohol C13H18O7 286.2778 286.10525293 2-(hydroxymethyl)-6-[(3-hydroxyphenyl)methoxy]oxane-3,4,5-triol 2-(hydroxymethyl)-6-[(3-hydroxyphenyl)methoxy]oxane-3,4,5-triol 143995-98-6 OCC1OC(OCC2=CC(O)=CC=C2)C(O)C(O)C1O InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-2-1-3-8(15)4-7/h1-4,9-18H,5-6H2 PNRKIXSZTUCIJN-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzene and substituted derivatives Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol Polyol Primary alcohol Secondary alcohol logp -1.44 ALOGPS logs -1.08 ALOGPS solubility 2.40e+01 g/l ALOGPS logp -0.87 ChemAxon pka_strongest_acidic 9.37 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-[(3-hydroxyphenyl)methoxy]oxane-3,4,5-triol ChemAxon average_mass 286.2778 ChemAxon mono_mass 286.10525293 ChemAxon smiles OCC1OC(OCC2=CC(O)=CC=C2)C(O)C(O)C1O ChemAxon formula C13H18O7 ChemAxon inchi InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-2-1-3-8(15)4-7/h1-4,9-18H,5-6H2 ChemAxon inchikey PNRKIXSZTUCIJN-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 67.27 ChemAxon polarizability 28.47 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24990 Specdb::CMs 45765 Specdb::CMs 131691 Specdb::CMs 139425 Specdb::MsMs 96300 Specdb::MsMs 96301 Specdb::MsMs 96302 Specdb::MsMs 160752 Specdb::MsMs 160753 Specdb::MsMs 160754 Specdb::MsMs 2452333 Specdb::MsMs 2452334 Specdb::MsMs 2452335 Specdb::MsMs 2483727 Specdb::MsMs 2483728 Specdb::MsMs 2483729 Specdb::NmrOneD 25762 Specdb::NmrOneD 25763 Specdb::NmrOneD 25764 Specdb::NmrOneD 25765 Specdb::NmrOneD 25766 Specdb::NmrOneD 25767 Specdb::NmrOneD 25768 Specdb::NmrOneD 25769 Specdb::NmrOneD 25770 Specdb::NmrOneD 25771 Specdb::NmrOneD 25772 Specdb::NmrOneD 25773 Specdb::NmrOneD 25774 Specdb::NmrOneD 25775 Specdb::NmrOneD 25776 Specdb::NmrOneD 25777 Specdb::NmrOneD 25778 Specdb::NmrOneD 25779 Specdb::NmrOneD 25780 Specdb::NmrOneD 25781 HMDB38331 #<Reference:0x000055ce3323a210> Fruits Unknown generic