1.0 2010-04-08 22:14:21 UTC 2025-11-19 02:19:36 UTC FDB019425 Naringin 6''-malonate Isolated from grapefruit. Naringin 6''-malonate is found in citrus and grapefruit/pummelo hybrid. 6''-O-Malonylnaringin Naringin 6''-malonate C30H34O17 666.585 666.179599635 3-[(3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-3-oxopropanoic acid 3-[(3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-3-oxopropanoic acid 139934-59-1 CC1OC(OC2C(O)C(O)C(COC(=O)CC(O)=O)OC2OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O InChI=1S/C30H34O17/c1-11-23(37)25(39)27(41)29(43-11)47-28-26(40)24(38)19(10-42-21(36)9-20(34)35)46-30(28)44-14-6-15(32)22-16(33)8-17(45-18(22)7-14)12-2-4-13(31)5-3-12/h2-7,11,17,19,23-32,37-41H,8-10H2,1H3,(H,34,35) YCOQCRMFNLZUCL-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 1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Carboxylic acid esters Carboxylic acids Chromones Dicarboxylic acids and derivatives Disaccharides Flavanones Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Secondary alcohols Vinylogous acids 1,3-dicarbonyl compound 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Chromane Chromone Dicarboxylic acid or derivatives 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 Secondary alcohol Vinylogous acid logp 0.39 ALOGPS logs -2.54 ALOGPS solubility 1.93e+00 g/l ALOGPS logp 0.18 ChemAxon pka_strongest_acidic 3.37 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-[(3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-3-oxopropanoic acid ChemAxon average_mass 666.585 ChemAxon mono_mass 666.179599635 ChemAxon smiles CC1OC(OC2C(O)C(O)C(COC(=O)CC(O)=O)OC2OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O ChemAxon formula C30H34O17 ChemAxon inchi InChI=1S/C30H34O17/c1-11-23(37)25(39)27(41)29(43-11)47-28-26(40)24(38)19(10-42-21(36)9-20(34)35)46-30(28)44-14-6-15(32)22-16(33)8-17(45-18(22)7-14)12-2-4-13(31)5-3-12/h2-7,11,17,19,23-32,37-41H,8-10H2,1H3,(H,34,35) ChemAxon inchikey YCOQCRMFNLZUCL-UHFFFAOYSA-N ChemAxon polar_surface_area 268.43 ChemAxon refractivity 149.8 ChemAxon polarizability 64.11 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 16 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 46143 Specdb::MsMs 46144 Specdb::MsMs 46145 Specdb::MsMs 164076 Specdb::MsMs 164077 Specdb::MsMs 164078 Specdb::MsMs 2696547 Specdb::MsMs 2696548 Specdb::MsMs 2696549 Specdb::MsMs 2982890 Specdb::MsMs 2982891 Specdb::MsMs 2982892 Specdb::CMs 15853 Specdb::CMs 693234 Specdb::CMs 693235 Specdb::CMs 693236 Specdb::CMs 693237 Specdb::CMs 693238 Specdb::CMs 693239 Specdb::CMs 693240 Specdb::CMs 693241 Specdb::CMs 693242 Specdb::CMs 693243 Specdb::CMs 693244 Specdb::CMs 693245 Specdb::CMs 693246 Specdb::CMs 693247 Specdb::CMs 693248 Specdb::CMs 693249 Specdb::CMs 693250 Specdb::CMs 693251 Specdb::CMs 693252 Specdb::CMs 693253 Specdb::CMs 693254 Specdb::CMs 693255 Specdb::CMs 693256 Specdb::CMs 693257 HMDB39776 #<Reference:0x000055ce305cc110> Citrus Unknown generic Grapefruit/Pummelo hybrid Type 1 specific Citrus paradisi X Citrus maxima 37656 2.266667 2.266666631 2.266666631 mg/100 g