1.0 2010-04-08 22:04:44 UTC 2020-02-24 19:10:15 UTC FDB000840 Vanilloside Isolated from oats. Vanilloside is found in oat and cereals and cereal products. 4-(beta-D-Glucopyranosyloxy)-3-methoxy-benzaldehyde Avenein Benzaldehyde, 4-(beta-D-glucopyranosyloxy)-3-methoxy- Glucovanillin Vanilloside C14H18O8 314.2879 314.100167552 3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzaldehyde glucovanillin 494-08-6 COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(C=O)=C1 InChI=1S/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3 LPRNQMUKVDHCFX-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 Alkyl aryl ethers Anisoles Benzaldehydes Benzoyl derivatives Hexoses Hydrocarbon derivatives Methoxybenzenes O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aldehyde Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Aryl-aldehyde Benzaldehyde Benzenoid Benzoyl Ether Hexose monosaccharide Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -0.95 ALOGPS logs -1.46 ALOGPS solubility 1.09e+01 g/l ALOGPS melting_point Mp 188-192° logp -1 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzaldehyde ChemAxon average_mass 314.2879 ChemAxon mono_mass 314.100167552 ChemAxon smiles COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(C=O)=C1 ChemAxon formula C14H18O8 ChemAxon inchi InChI=1S/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3 ChemAxon inchikey LPRNQMUKVDHCFX-UHFFFAOYSA-N ChemAxon polar_surface_area 125.68 ChemAxon refractivity 73.23 ChemAxon polarizability 30.06 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19233 Specdb::CMs 41504 Specdb::CMs 151953 Specdb::NmrOneD 15962 Specdb::NmrOneD 15963 Specdb::NmrOneD 15964 Specdb::NmrOneD 15965 Specdb::NmrOneD 15966 Specdb::NmrOneD 15967 Specdb::NmrOneD 15968 Specdb::NmrOneD 15969 Specdb::NmrOneD 15970 Specdb::NmrOneD 15971 Specdb::NmrOneD 15972 Specdb::NmrOneD 15973 Specdb::NmrOneD 15974 Specdb::NmrOneD 15975 Specdb::NmrOneD 15976 Specdb::NmrOneD 15977 Specdb::NmrOneD 15978 Specdb::NmrOneD 15979 Specdb::NmrOneD 15980 Specdb::NmrOneD 15981 Specdb::MsMs 7754 Specdb::MsMs 7755 Specdb::MsMs 7756 Specdb::MsMs 14426 Specdb::MsMs 14427 Specdb::MsMs 14428 Specdb::MsMs 2298795 Specdb::MsMs 2298796 Specdb::MsMs 2298797 Specdb::MsMs 2639254 Specdb::MsMs 2639255 Specdb::MsMs 2639256 HMDB29664 #<Reference:0x00007f093c0cb498> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Oat Type 1 specific Avena sativa 4498 bitter vanilla very mild