1.0 2010-04-08 22:15:12 UTC 2019-11-26 03:19:19 UTC FDB020693 Linusitamarin Constituent of Linum usitatissimum (flax). Linusitamarin is found in tea, flaxseed, and coffee and coffee products. Linusitamarin C17H22O9 370.3512 370.126382302 methyl (2Z)-3-(3-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate methyl (2Z)-3-(3-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate COC(=O)\C=C/C1=CC(OC)=CC(OC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C17H22O9/c1-23-10-5-9(3-4-13(19)24-2)6-11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3-7,12,14-18,20-22H,8H2,1-2H3/b4-3- USFDIQKRDRIDPN-ARJAWSKDSA-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 Carbonyl compounds Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hexoses Hydrocarbon derivatives Methoxybenzenes Methyl esters Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Hexose monosaccharide Hydrocarbon derivative Methoxybenzene 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 Styrene logp -0.07 ALOGPS logs -2.11 ALOGPS solubility 2.86e+00 g/l ALOGPS logp -0.21 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac methyl (2Z)-3-(3-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate ChemAxon average_mass 370.3512 ChemAxon mono_mass 370.126382302 ChemAxon smiles COC(=O)\C=C/C1=CC(OC)=CC(OC2OC(CO)C(O)C(O)C2O)=C1 ChemAxon formula C17H22O9 ChemAxon inchi InChI=1S/C17H22O9/c1-23-10-5-9(3-4-13(19)24-2)6-11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3-7,12,14-18,20-22H,8H2,1-2H3/b4-3- ChemAxon inchikey USFDIQKRDRIDPN-ARJAWSKDSA-N ChemAxon polar_surface_area 134.91 ChemAxon refractivity 88.42 ChemAxon polarizability 36.67 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20774 Specdb::CMs 46999 Specdb::CMs 146245 Specdb::MsMs 312274 Specdb::MsMs 312275 Specdb::MsMs 312276 Specdb::MsMs 357487 Specdb::MsMs 357488 Specdb::MsMs 357489 Specdb::MsMs 2263897 Specdb::MsMs 2263898 Specdb::MsMs 2263899 Specdb::MsMs 3074715 Specdb::MsMs 3074716 Specdb::MsMs 3074717 Specdb::NmrOneD 43842 Specdb::NmrOneD 43843 Specdb::NmrOneD 43844 Specdb::NmrOneD 43845 Specdb::NmrOneD 43846 Specdb::NmrOneD 43847 Specdb::NmrOneD 43848 Specdb::NmrOneD 43849 Specdb::NmrOneD 43850 Specdb::NmrOneD 43851 Specdb::NmrOneD 43852 Specdb::NmrOneD 43853 Specdb::NmrOneD 43854 Specdb::NmrOneD 43855 Specdb::NmrOneD 43856 Specdb::NmrOneD 43857 Specdb::NmrOneD 43858 Specdb::NmrOneD 43859 Specdb::NmrOneD 43860 Specdb::NmrOneD 43861 HMDB40865 #<Reference:0x000055ce319697b8> Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Coffee and coffee products Unknown generic Flaxseed Type 1 specific Linum usitatissimum 4006 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442