1.0 2010-04-08 22:13:35 UTC 2025-11-19 02:10:27 UTC FDB018244 Isoorientin 6''-rhamnoside Isolated from wheat leaves (Triticum species). Isoorientin 6''-rhamnoside is found in wheat and cereals and cereal products. Isoorientin 6''-O-rhamnoside Isoorientin 6''-rhamnoside Luteolin 6-C-rutinoside C27H30O15 594.5181 594.15847029 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)chromen-4-one 108602-35-3 CC1OC(OCC2OC(C(O)C(O)C2O)C2=C(O)C3=C(OC(=CC3=O)C3=CC(O)=C(O)C=C3)C=C2O)C(O)C(O)C1O InChI=1S/C27H30O15/c1-8-19(32)22(35)25(38)27(40-8)39-7-16-20(33)23(36)24(37)26(42-16)18-13(31)6-15-17(21(18)34)12(30)5-14(41-15)9-2-3-10(28)11(29)4-9/h2-6,8,16,19-20,22-29,31-38H,7H2,1H3 UUADGBNGCDJIKC-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid C-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 7-hydroxyflavonoids Acetals Benzene and substituted derivatives C-glycosyl compounds Catechols Chromones Dialkyl ethers Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Catechol Chromone Dialkyl ether Disaccharide Ether Flavone Flavonoid c-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.00 ALOGPS logs -2.25 ALOGPS solubility 3.33e+00 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)-4H-chromen-4-one ChemAxon average_mass 594.5181 ChemAxon mono_mass 594.15847029 ChemAxon smiles CC1OC(OCC2OC(C(O)C(O)C2O)C2=C(O)C3=C(OC(=CC3=O)C3=CC(O)=C(O)C=C3)C=C2O)C(O)C(O)C1O ChemAxon formula C27H30O15 ChemAxon inchi InChI=1S/C27H30O15/c1-8-19(32)22(35)25(38)27(40-8)39-7-16-20(33)23(36)24(37)26(42-16)18-13(31)6-15-17(21(18)34)12(30)5-14(41-15)9-2-3-10(28)11(29)4-9/h2-6,8,16,19-20,22-29,31-38H,7H2,1H3 ChemAxon inchikey UUADGBNGCDJIKC-UHFFFAOYSA-N ChemAxon polar_surface_area 256.29 ChemAxon refractivity 138.88 ChemAxon polarizability 58.4 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 107385 Specdb::MsMs 107386 Specdb::MsMs 107387 Specdb::MsMs 174357 Specdb::MsMs 174358 Specdb::MsMs 174359 Specdb::MsMs 2394763 Specdb::MsMs 2394764 Specdb::MsMs 2394765 Specdb::MsMs 2540084 Specdb::MsMs 2540085 Specdb::MsMs 2540086 Specdb::NmrOneD 29422 Specdb::NmrOneD 29423 Specdb::NmrOneD 29424 Specdb::NmrOneD 29425 Specdb::NmrOneD 29426 Specdb::NmrOneD 29427 Specdb::NmrOneD 29428 Specdb::NmrOneD 29429 Specdb::NmrOneD 29430 Specdb::NmrOneD 29431 Specdb::NmrOneD 29432 Specdb::NmrOneD 29433 Specdb::NmrOneD 29434 Specdb::NmrOneD 29435 Specdb::NmrOneD 29436 Specdb::NmrOneD 29437 Specdb::NmrOneD 29438 Specdb::NmrOneD 29439 Specdb::NmrOneD 29440 Specdb::NmrOneD 29441 Specdb::CMs 25578 Specdb::CMs 46080 Specdb::CMs 282980 Specdb::CMs 435873 Specdb::CMs 435874 Specdb::CMs 435875 Specdb::CMs 435876 Specdb::CMs 435877 Specdb::CMs 435878 Specdb::CMs 435879 Specdb::CMs 435880 Specdb::CMs 435881 Specdb::CMs 435882 Specdb::CMs 435883 Specdb::CMs 435884 Specdb::CMs 435885 Specdb::CMs 435886 Specdb::CMs 435887 Specdb::CMs 435888 Specdb::CMs 435889 Specdb::CMs 435890 Specdb::CMs 435891 Specdb::CMs 435892 Specdb::CMs 435893 Specdb::CMs 435894 HMDB38818 #<Reference:0x000055ce318cc238> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Wheat Type 1 specific Triticum 4564