1.0 2010-04-08 22:12:30 UTC 2025-11-19 01:47:55 UTC FDB016548 Eriodictyol 7-neohesperidoside Eriodictyol 7-neohesperidoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Eriodictyol 7-neohesperidoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Eriodictyol 7-neohesperidoside can be found in a number of food items such as lemon, grapefruit, lime, and grapefruit/pummelo hybrid, which makes eriodictyol 7-neohesperidoside a potential biomarker for the consumption of these food products. Eriodictyol 7-neohesperidoside Eriodictyol 7-O-neohesperidoside Eriodictyol-7-O-neohesperidoside Neoeriocitrin C27H32O15 596.534 596.174120354 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydro-1-benzopyran-4-one 13241-32-2 CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C(O)=C3)C(O)=C2)C(O)C(O)C1O InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3 OBKKEZLIABHSGY-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'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Catechols Chromones Disaccharides Flavanones Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Catechol Chromane Chromone Disaccharide Ether Flavan Flavanone Flavonoid-7-o-glycoside Glycosyl compound Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol Vinylogous acid logp -0.36 ALOGPS logs -2.13 ALOGPS solubility 4.42e+00 g/l ALOGPS melting_point Mp 190-191° logp -0.46 ChemAxon pka_strongest_acidic 9.12 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 596.534 ChemAxon mono_mass 596.174120354 ChemAxon smiles CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C(O)=C3)C(O)=C2)C(O)C(O)C1O ChemAxon formula C27H32O15 ChemAxon inchi InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3 ChemAxon inchikey OBKKEZLIABHSGY-UHFFFAOYSA-N ChemAxon polar_surface_area 245.29 ChemAxon refractivity 136.28 ChemAxon polarizability 58.48 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 947885 Specdb::CMs 947886 Specdb::CMs 947887 Specdb::CMs 947888 Specdb::CMs 947889 Specdb::CMs 947890 Specdb::CMs 947891 Specdb::CMs 947892 Specdb::CMs 947893 Specdb::CMs 947894 Specdb::CMs 947895 Specdb::CMs 947896 Specdb::CMs 947897 Specdb::CMs 947898 Specdb::CMs 947899 Specdb::CMs 947900 Specdb::CMs 947901 Specdb::CMs 947902 Specdb::CMs 947903 Specdb::CMs 947904 Specdb::CMs 947905 Specdb::CMs 947906 Specdb::CMs 947907 Specdb::CMs 947908 Specdb::CMs 947909 Specdb::NmrOneD 226857 Specdb::NmrOneD 226858 Specdb::NmrOneD 226859 Specdb::NmrOneD 226860 Specdb::NmrOneD 226861 Specdb::NmrOneD 226862 Specdb::NmrOneD 226863 Specdb::NmrOneD 226864 Specdb::NmrOneD 226865 Specdb::NmrOneD 226866 Specdb::NmrOneD 226867 Specdb::NmrOneD 226868 Specdb::NmrOneD 226869 Specdb::NmrOneD 226870 Specdb::NmrOneD 226871 Specdb::NmrOneD 226872 Specdb::NmrOneD 226873 Specdb::NmrOneD 226874 Specdb::NmrOneD 226875 Specdb::NmrOneD 226876 Specdb::MsMs 44412 Specdb::MsMs 44413 Specdb::MsMs 44414 Specdb::MsMs 171474 Specdb::MsMs 171475 Specdb::MsMs 171476 Specdb::MsMs 2229364 Specdb::MsMs 2230087 Specdb::MsMs 2252624 Specdb::MsMs 2253601 Specdb::MsMs 2253879 Specdb::MsMs 2254691 Specdb::MsMs 2254971 Specdb::MsMs 2255629 Specdb::MsMs 2255869 Specdb::MsMs 2256763 Specdb::MsMs 2257018 Specdb::MsMs 2257554 Specdb::MsMs 2259002 Specdb::MsMs 2259589 Grapefruit Type 1 specific Citrus X paradisi 37656 0.090769 0.090769236 0.090769236 mg/100 g Grapefruit/Pummelo hybrid Type 1 specific Citrus paradisi X Citrus maxima 37656 0.216667 0.216666669 0.216666669 mg/100 g Lemon Type 1 specific Citrus limon 2708 0.313529 0.313529407 0.313529407 mg/100 g Lime Type 1 specific Citrus aurantiifolia 159033 0.355714 0.355714287 0.355714287 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 0.0 0.0 0.0 mg/100 g