1.0 2010-04-08 22:15:31 UTC 2019-11-26 03:20:01 UTC FDB021185 Myzodendrone Isolated from raspberries. Myzodendrone is found in fruits. Myzodendrone C16H22O8 342.3411 342.13146768 4-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)butan-2-one 4-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)butan-2-one 101705-37-7 CC(=O)CCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1 InChI=1S/C16H22O8/c1-8(18)2-3-9-4-5-10(19)11(6-9)23-16-15(22)14(21)13(20)12(7-17)24-16/h4-6,12-17,19-22H,2-3,7H2,1H3 LMPCSMHAJDXHSV-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 1-hydroxy-2-unsubstituted benzenoids Acetals Hexoses Hydrocarbon derivatives Ketones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Carbonyl group Hexose monosaccharide Hydrocarbon derivative Ketone Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -0.59 ALOGPS logs -1.76 ALOGPS solubility 5.91e+00 g/l ALOGPS melting_point Mp 120-123° logp -0.49 ChemAxon pka_strongest_acidic 9.79 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)butan-2-one ChemAxon average_mass 342.3411 ChemAxon mono_mass 342.13146768 ChemAxon smiles CC(=O)CCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1 ChemAxon formula C16H22O8 ChemAxon inchi InChI=1S/C16H22O8/c1-8(18)2-3-9-4-5-10(19)11(6-9)23-16-15(22)14(21)13(20)12(7-17)24-16/h4-6,12-17,19-22H,2-3,7H2,1H3 ChemAxon inchikey LMPCSMHAJDXHSV-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 81.62 ChemAxon polarizability 34.04 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22613 Specdb::CMs 47218 Specdb::CMs 171161 Specdb::MsMs 316204 Specdb::MsMs 316205 Specdb::MsMs 316206 Specdb::MsMs 362389 Specdb::MsMs 362390 Specdb::MsMs 362391 Specdb::MsMs 2678327 Specdb::MsMs 2678328 Specdb::MsMs 2678329 Specdb::MsMs 3029900 Specdb::MsMs 3029901 Specdb::MsMs 3029902 Specdb::NmrOneD 45922 Specdb::NmrOneD 45923 Specdb::NmrOneD 45924 Specdb::NmrOneD 45925 Specdb::NmrOneD 45926 Specdb::NmrOneD 45927 Specdb::NmrOneD 45928 Specdb::NmrOneD 45929 Specdb::NmrOneD 45930 Specdb::NmrOneD 45931 Specdb::NmrOneD 45932 Specdb::NmrOneD 45933 Specdb::NmrOneD 45934 Specdb::NmrOneD 45935 Specdb::NmrOneD 45936 Specdb::NmrOneD 45937 Specdb::NmrOneD 45938 Specdb::NmrOneD 45939 Specdb::NmrOneD 45940 Specdb::NmrOneD 45941 HMDB41273 #<Reference:0x000055ce31cfca88> Fruits Unknown generic