1.0 2020-04-02 17:51:49 UTC 2025-11-19 03:07:54 UTC FDB097354 Rutin C43H34O8 678.737 678.225368055 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one OC1=CC=C(C=C1)[C@@H]1CC2=C([C@H]1C1=CC(O)=CC(O)=C1)C(O)=CC(\C=C/C1=CC3=C(O[C@H]([C@H]3C3=CC(O)=CC(O)=C3)C3=CC=C(O)C=C3)C=C1)=C2 InChI=1S/C43H34O8/c44-30-8-4-25(5-9-30)36-20-27-13-24(15-38(50)42(27)40(36)28-16-32(46)21-33(47)17-28)2-1-23-3-12-39-37(14-23)41(29-18-34(48)22-35(49)19-29)43(51-39)26-6-10-31(45)11-7-26/h1-19,21-22,36,40-41,43-50H,20H2/b2-1-/t36-,40-,41-,43-/m0/s1 FIVYPMMOJFDIJA-SWJJYDEHSA-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 3-hydroxyflavonoids 5-hydroxyflavonoids Acetals Alkyl glycosides Chromones Fatty acyl glycosides of mono- and disaccharides Flavonols Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers 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 3-hydroxyflavone 3-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alkyl glycoside Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Flavone Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide 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 0.15 ALOGPS logs -2.24 ALOGPS solubility 3.54e+00 g/l ALOGPS logp -0.87 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 678.737 ChemAxon mono_mass 678.225368055 ChemAxon smiles OC1=CC=C(C=C1)[C@@H]1CC2=C([C@H]1C1=CC(O)=CC(O)=C1)C(O)=CC(\C=C/C1=CC3=C(O[C@H]([C@H]3C3=CC(O)=CC(O)=C3)C3=CC=C(O)C=C3)C=C1)=C2 ChemAxon formula C43H34O8 ChemAxon inchi InChI=1S/C43H34O8/c44-30-8-4-25(5-9-30)36-20-27-13-24(15-38(50)42(27)40(36)28-16-32(46)21-33(47)17-28)2-1-23-3-12-39-37(14-23)41(29-18-34(48)22-35(49)19-29)43(51-39)26-6-10-31(45)11-7-26/h1-19,21-22,36,40-41,43-50H,20H2/b2-1-/t36-,40-,41-,43-/m0/s1 ChemAxon inchikey FIVYPMMOJFDIJA-SWJJYDEHSA-N ChemAxon polar_surface_area 265.52 ChemAxon refractivity 140.15 ChemAxon polarizability 57.35 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 240568 Specdb::MsMs 240569 Specdb::MsMs 240570 Specdb::MsMs 242623 Specdb::MsMs 242624 Specdb::MsMs 242625 Apricot Type 1 specific Prunus armeniaca 36596 Asparagus Type 1 specific Asparagus officinalis 4686 Black tea Type 1 Blackberry Type 1 specific Rubus Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Fruit juice Type 2 specific Green tea Type 1 Lingonberry Type 1 specific Vaccinium vitis-idaea 180772 0.0 0.0 0.0 Milk (Cow) Type 2 specific 1.26 1.57 1.0 uM Olive Type 1 specific Olea europaea 4146 Sweet cherry Type 1 specific Prunus avium 42229