1.0 2010-04-08 22:13:38 UTC 2025-11-19 02:10:47 UTC FDB018306 Quercetagetin 3'-methylether 7-glucoside Isolated from Chrysanthemum coronarium (chop-suey greens). Quercetagetin 3'-methylether 7-glucoside is found in garland chrysanthemum and herbs and spices. 3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester 3,4',5,6,7-Pentahydroxy-3'-methoxyflavone 7-O-b-D-glucopyranoside 3,4',5,6,7-Pentahydroxy-3'-methoxyflavone 7-O-glucoside 4-Benzoyl-3-isoxazolecarboxylic acid ethyl ester Quercetagetin 3'-methyl ether 7-glucoside C22H22O13 494.4023 494.10604079 3,5,6-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 3,5,6-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 29741-08-0 COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1 InChI=1S/C22H22O13/c1-32-9-4-7(2-3-8(9)24)21-19(30)17(28)13-10(33-21)5-11(14(25)16(13)27)34-22-20(31)18(29)15(26)12(6-23)35-22/h2-5,12,15,18,20,22-27,29-31H,6H2,1H3 WJYMEDBNOOSKGW-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavonols Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-hydroxyflavone 3-hydroxyflavonoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.57 ALOGPS logs -2.41 ALOGPS solubility 1.91e+00 g/l ALOGPS logp -0.27 ChemAxon pka_strongest_acidic 8.14 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,5,6-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 494.4023 ChemAxon mono_mass 494.10604079 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1 ChemAxon formula C22H22O13 ChemAxon inchi InChI=1S/C22H22O13/c1-32-9-4-7(2-3-8(9)24)21-19(30)17(28)13-10(33-21)5-11(14(25)16(13)27)34-22-20(31)18(29)15(26)12(6-23)35-22/h2-5,12,15,18,20,22-27,29-31H,6H2,1H3 ChemAxon inchikey WJYMEDBNOOSKGW-UHFFFAOYSA-N ChemAxon polar_surface_area 215.83 ChemAxon refractivity 115.47 ChemAxon polarizability 47 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9494 Specdb::CMs 46113 Specdb::CMs 157198 Specdb::MsMs 9923 Specdb::MsMs 9924 Specdb::MsMs 9925 Specdb::MsMs 16595 Specdb::MsMs 16596 Specdb::MsMs 16597 Specdb::MsMs 2380398 Specdb::MsMs 2380399 Specdb::MsMs 2380400 Specdb::MsMs 2557848 Specdb::MsMs 2557849 Specdb::MsMs 2557850 Specdb::NmrOneD 29802 Specdb::NmrOneD 29803 Specdb::NmrOneD 29804 Specdb::NmrOneD 29805 Specdb::NmrOneD 29806 Specdb::NmrOneD 29807 Specdb::NmrOneD 29808 Specdb::NmrOneD 29809 Specdb::NmrOneD 29810 Specdb::NmrOneD 29811 Specdb::NmrOneD 29812 Specdb::NmrOneD 29813 Specdb::NmrOneD 29814 Specdb::NmrOneD 29815 Specdb::NmrOneD 29816 Specdb::NmrOneD 29817 Specdb::NmrOneD 29818 Specdb::NmrOneD 29819 Specdb::NmrOneD 29820 Specdb::NmrOneD 29821 HMDB38866 #<Reference:0x000055ce333e12a8> Garland chrysanthemum Type 1 specific Chrysanthemum coronarium 99038 Herbs and Spices Unknown generic