1.0 2010-04-08 22:10:05 UTC 2025-11-18 23:35:25 UTC FDB012272 6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside Constituent of fennel, Foeniculum vulgare. 6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside is found in herbs and spices. 6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside C20H26O10 426.4144 426.152597052 3-(2,2-dimethyl-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-6-yl)propanoic acid 3-(2,2-dimethyl-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-1-benzopyran-6-yl)propanoic acid CC1(C)CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C(CCC(O)=O)=C2 InChI=1S/C20H26O10/c1-20(2)7-11(22)10-5-9(3-4-15(23)24)12(6-13(10)30-20)28-19-18(27)17(26)16(25)14(8-21)29-19/h5-6,14,16-19,21,25-27H,3-4,7-8H2,1-2H3,(H,23,24) DSNULGSRJZPYOC-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 heteropolycyclic compounds 2,2-dimethyl-1-benzopyrans Acetals Alkyl aryl ethers Aryl alkyl ketones Benzenoids Carboxylic acids Chromones Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 1-benzopyran 2,2-dimethyl-1-benzopyran Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Carbonyl group Carboxylic acid Carboxylic acid derivative Chromane Chromone Ether Hexose monosaccharide Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol logp -0.18 ALOGPS logs -2.29 ALOGPS solubility 2.18e+00 g/l ALOGPS logp -0.48 ChemAxon pka_strongest_acidic 3.4 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-(2,2-dimethyl-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-6-yl)propanoic acid ChemAxon average_mass 426.4144 ChemAxon mono_mass 426.152597052 ChemAxon smiles CC1(C)CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C(CCC(O)=O)=C2 ChemAxon formula C20H26O10 ChemAxon inchi InChI=1S/C20H26O10/c1-20(2)7-11(22)10-5-9(3-4-15(23)24)12(6-13(10)30-20)28-19-18(27)17(26)16(25)14(8-21)29-19/h5-6,14,16-19,21,25-27H,3-4,7-8H2,1-2H3,(H,23,24) ChemAxon inchikey DSNULGSRJZPYOC-UHFFFAOYSA-N ChemAxon polar_surface_area 162.98 ChemAxon refractivity 100.16 ChemAxon polarizability 42.59 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25861 Specdb::CMs 43665 Specdb::CMs 167516 Specdb::MsMs 85218 Specdb::MsMs 85219 Specdb::MsMs 85220 Specdb::MsMs 147282 Specdb::MsMs 147283 Specdb::MsMs 147284 Specdb::MsMs 2808701 Specdb::MsMs 2808702 Specdb::MsMs 2808703 Specdb::MsMs 2900094 Specdb::MsMs 2900095 Specdb::MsMs 2900096 Specdb::NmrOneD 124098 Specdb::NmrOneD 124099 Specdb::NmrOneD 124100 Specdb::NmrOneD 124101 Specdb::NmrOneD 124102 Specdb::NmrOneD 124103 Specdb::NmrOneD 124104 Specdb::NmrOneD 124105 Specdb::NmrOneD 124106 Specdb::NmrOneD 124107 Specdb::NmrOneD 124108 Specdb::NmrOneD 124109 Specdb::NmrOneD 124110 Specdb::NmrOneD 124111 Specdb::NmrOneD 124112 Specdb::NmrOneD 124113 Specdb::NmrOneD 124114 Specdb::NmrOneD 124115 Specdb::NmrOneD 124116 Specdb::NmrOneD 124117 HMDB34032 #<Reference:0x000055ce32be5c20> Herbs and Spices Unknown generic