1.0 2010-04-08 22:13:01 UTC 2019-11-26 03:14:38 UTC FDB017308 Peonidin 3-glucoside Peonidin 3-glucoside is isolated from grapes and many other plant spp. It is found in red wine, common wheat, and lowbush blueberry. Oxycoccicyanin Peonidin 3-glucoside Peonidin 3-O-b-D-glucoside Peonidin 3-O-beta-D-glucopyranoside Peonidin 3-O-beta-D-glucoside Peonidin 3-O-glucoside Peonidin 3-O-β-D-glucoside Peonidin-3-glucoside C22H23O11 463.4114 463.124036578 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium 68795-37-9 COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1 ZZWPMFROUHHAKY-OUUKCGNVSA-O belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Anthocyanidin-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Anthocyanidins Flavonoid-3-O-glycosides Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Anthocyanidin Anthocyanidin-3-o-glycoside Aromatic heteropolycyclic compound Benzenoid Benzopyran Ether Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Primary alcohol Secondary alcohol anthocyanin cation beta-D-glucoside monosaccharide derivative Solid logp 1.18 ALOGPS logs -3.08 ALOGPS solubility 4.18e-01 g/l ALOGPS logp 0.42 ChemAxon pka_strongest_acidic 6.4 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium ChemAxon average_mass 463.4114 ChemAxon mono_mass 463.124036578 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ChemAxon formula C22H23O11 ChemAxon inchi InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1 ChemAxon inchikey ZZWPMFROUHHAKY-OUUKCGNVSA-O ChemAxon polar_surface_area 182.44 ChemAxon refractivity 120.74 ChemAxon polarizability 45.05 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::NmrOneD 286795 Specdb::NmrOneD 286796 Specdb::NmrOneD 286797 Specdb::NmrOneD 286798 Specdb::NmrOneD 286799 Specdb::NmrOneD 286800 Specdb::NmrOneD 286801 Specdb::NmrOneD 286802 Specdb::NmrOneD 286803 Specdb::NmrOneD 286804 Specdb::NmrOneD 286805 Specdb::NmrOneD 286806 Specdb::NmrOneD 286807 Specdb::NmrOneD 286808 Specdb::NmrOneD 286809 Specdb::NmrOneD 286810 Specdb::NmrOneD 286811 Specdb::NmrOneD 286812 Specdb::NmrOneD 286813 Specdb::NmrOneD 286814 Specdb::CMs 24652 Specdb::CMs 40169 Specdb::CMs 135415 Specdb::CMs 143149 Specdb::MsMs 92820 Specdb::MsMs 92821 Specdb::MsMs 92822 Specdb::MsMs 156501 Specdb::MsMs 156502 Specdb::MsMs 156503 Specdb::MsMs 439217 Specdb::MsMs 448158 Specdb::MsMs 2804658 Specdb::MsMs 2804659 Specdb::MsMs 2804660 HMDB13689 #<Reference:0x000055ce305aad30> Alcoholic beverages Unknown generic Amaranth Type 1 specific Amaranthus 3564 American cranberry Type 1 specific Vaccinium macrocarpon 13750 4.165969 4.165968895 4.165968895 mg/100 g Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Bilberry Type 1 specific Vaccinium myrtillus 180763 19.65 19.65 19.65 mg/100 g Black chokeberry Type 1 specific Photinia melanocarpa 661339 0.0 0.0 0.0 mg/100 g Black elderberry Type 1 specific Sambucus nigra 4202 0.0 0.0 0.0 mg/100 g Blackcurrant Type 1 specific Ribes nigrum 78511 0.0 0.0 0.0 mg/100 g Breakfast cereal Type 2 specific Bulgur Type 2 specific Canada blueberry Type 1 specific Vaccinium myrtilloides 1503870 Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common grape Type 1 specific Vitis vinifera 29760 2.898182 5.796363657 0.0 mg/100 g Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 European plum Type 1 specific Prunus domestica 3758 0.45778 0.457780376 0.457780376 mg/100 g Flour Type 2 specific Fruits Unknown generic Gooseberry Type 1 specific Ribes uva-crispa 135518 0.0625 0.062499999 0.062499999 mg/100 g Grape wine Type 2 specific 0.275488 0.826465016 0.0 mg/100 g Hard wheat Type 1 specific Triticum durum 4567 Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.206236 0.206236076 0.206236076 mg/100 g Lima bean Type 1 specific Phaseolus lunatus 3884 Lingonberry Type 1 specific Vaccinium vitis-idaea 180772 4.258775 4.258775234 4.258775234 mg/100 g Lowbush blueberry Type 1 specific Vaccinium angustifolium 472369 4.019376 5.531251693 2.507500052 mg/100 g Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Olive Type 1 specific Olea europaea 4146 Oriental wheat Type 1 specific Triticum turanicum 376534 Prunus (Cherry, Plum) Type 1 specific Prunus 3754 Quinoa Type 1 specific Chenopodium quinoa 63459 Rabbiteye blueberry Type 1 specific Vaccinium virgatum Red raspberry Type 1 specific Rubus idaeus 32247 0.0 0.0 0.0 mg/100 g Red rice Type 1 specific Oryza rufipogon 4529 Redcurrant Type 1 specific Ribes rubrum 175228 0.0 0.0 0.0 mg/100 g Rice Type 1 specific Oryza sativa 4530 Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 0.0 0.0 0.0 mg/100 g Rye Type 1 specific Secale cereale 4550 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Strawberry Type 1 specific Fragaria X ananassa 3747 0.0 0.0 0.0 mg/100 g Summer grape Type 1 specific Vitis aestivalis 3605 1.34 1.339999914 1.339999914 mg/100 g Sweet cherry Type 1 specific Prunus avium 42229 0.748755 0.757009225 0.740500033 mg/100 g Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Vaccinium (Blueberry, Cranberry, Huckleberry) Type 1 specific Vaccinium 13749 Wheat Type 1 specific Triticum 4564 Wild rice Type 1 specific Zizania 15949 Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.