1.0 2010-04-08 22:14:24 UTC 2025-11-19 02:20:13 UTC FDB019514 Diosmetin 7-neohesperidoside Constituent of bitter orange (Citrus aurantium). Diosmetin 7-neohesperidoside is found in many foods, some of which are citrus, sweet orange, grapefruit/pummelo hybrid, and lemon. 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one Diosmetin 7-neohesperidoside Neodiosmin C28H32O15 608.5447 608.174120354 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one 38665-01-9 COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1 InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3 VCCNKWWXYVWTLT-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'-O-methylated flavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Disaccharides Flavones Heteroaromatic compounds 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'-hydroxyflavonoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Ether Flavone Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety 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 0.10 ALOGPS logs -2.44 ALOGPS solubility 2.21e+00 g/l ALOGPS melting_point Mp 266-268° logp -0.44 ChemAxon pka_strongest_acidic 8.48 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 608.5447 ChemAxon mono_mass 608.174120354 ChemAxon smiles COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1 ChemAxon formula C28H32O15 ChemAxon inchi InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3 ChemAxon inchikey VCCNKWWXYVWTLT-UHFFFAOYSA-N ChemAxon polar_surface_area 234.29 ChemAxon refractivity 142.39 ChemAxon polarizability 60.33 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15527 Specdb::CMs 46601 Specdb::CMs 494714 Specdb::CMs 494715 Specdb::CMs 494716 Specdb::CMs 494717 Specdb::CMs 494718 Specdb::CMs 494719 Specdb::CMs 494720 Specdb::CMs 494721 Specdb::CMs 494722 Specdb::CMs 494723 Specdb::CMs 494724 Specdb::CMs 494725 Specdb::CMs 494726 Specdb::CMs 494727 Specdb::CMs 494728 Specdb::CMs 494729 Specdb::CMs 494730 Specdb::CMs 494731 Specdb::CMs 494732 Specdb::CMs 494733 Specdb::CMs 494734 Specdb::CMs 494735 Specdb::CMs 494736 Specdb::MsMs 57822 Specdb::MsMs 57823 Specdb::MsMs 57824 Specdb::MsMs 113604 Specdb::MsMs 113605 Specdb::MsMs 113606 Specdb::MsMs 2240202 Specdb::MsMs 2241488 Specdb::MsMs 2244055 Specdb::MsMs 2244368 Specdb::MsMs 2245753 Specdb::MsMs 2246020 Specdb::MsMs 2246456 Specdb::MsMs 2247813 Specdb::MsMs 2248207 Specdb::MsMs 2248439 Specdb::MsMs 2249948 Specdb::MsMs 2250479 Specdb::MsMs 2251890 Specdb::MsMs 2252208 Specdb::MsMs 2796653 Specdb::MsMs 2796654 Specdb::MsMs 2796655 Specdb::MsMs 2886185 Specdb::MsMs 2886186 Specdb::NmrOneD 36582 Specdb::NmrOneD 36583 Specdb::NmrOneD 36584 Specdb::NmrOneD 36585 Specdb::NmrOneD 36586 Specdb::NmrOneD 36587 Specdb::NmrOneD 36588 Specdb::NmrOneD 36589 Specdb::NmrOneD 36590 Specdb::NmrOneD 36591 Specdb::NmrOneD 36592 Specdb::NmrOneD 36593 Specdb::NmrOneD 36594 Specdb::NmrOneD 36595 Specdb::NmrOneD 36596 Specdb::NmrOneD 36597 Specdb::NmrOneD 36598 Specdb::NmrOneD 36599 Specdb::NmrOneD 36600 Specdb::NmrOneD 36601 HMDB39856 #<Reference:0x000055ce304963b8> Citrus Unknown generic Grapefruit/Pummelo hybrid Type 1 specific Citrus paradisi X Citrus maxima 37656 0.0 0.0 0.0 mg/100 g Lemon Type 1 specific Citrus limon 2708 Sweet orange Type 1 specific Citrus sinensis 2711