1.0 2010-04-08 22:10:35 UTC 2025-11-18 23:42:13 UTC FDB013201 (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-[glucosyl-(1->4)-glucoside] Constituent of rice bran. (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-[glucosyl-(1->4)-glucoside] is found in cereals and cereal products. (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-[glucosyl-(1->4)-glucoside] (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-O-[b-D-glucopyranosyl-(1->4)-b-D-glucopyranoside] C22H29NO15 547.4634 547.153719263 2-(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid (5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid 218604-48-9 OCC1OC(OC2C(O)C(O)C(OC3=CC4=C(NC(=O)C4(O)CC(O)=O)C=C3)OC2CO)C(O)C(O)C1O InChI=1S/C22H29NO15/c24-5-10-13(28)14(29)16(31)20(36-10)38-18-11(6-25)37-19(17(32)15(18)30)35-7-1-2-9-8(3-7)22(34,4-12(26)27)21(33)23-9/h1-3,10-11,13-20,24-25,28-32,34H,4-6H2,(H,23,33)(H,26,27) ADONHDUDLSXBIZ-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds Acetals Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Disaccharides Hydrocarbon derivatives Indoles Indolines Indolyl carboxylic acids and derivatives Lactams Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Tertiary alcohols Acetal Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Dihydroindole Disaccharide Hydrocarbon derivative Indole Indole or derivatives Indolyl carboxylic acid derivative Lactam Monocarboxylic acid or derivatives O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Tertiary alcohol logp -2.04 ALOGPS logs -1.05 ALOGPS solubility 4.88e+01 g/l ALOGPS logp -4.2 ChemAxon pka_strongest_acidic 3.37 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid ChemAxon average_mass 547.4634 ChemAxon mono_mass 547.153719263 ChemAxon smiles OCC1OC(OC2C(O)C(O)C(OC3=CC4=C(NC(=O)C4(O)CC(O)=O)C=C3)OC2CO)C(O)C(O)C1O ChemAxon formula C22H29NO15 ChemAxon inchi InChI=1S/C22H29NO15/c24-5-10-13(28)14(29)16(31)20(36-10)38-18-11(6-25)37-19(17(32)15(18)30)35-7-1-2-9-8(3-7)22(34,4-12(26)27)21(33)23-9/h1-3,10-11,13-20,24-25,28-32,34H,4-6H2,(H,23,33)(H,26,27) ChemAxon inchikey ADONHDUDLSXBIZ-UHFFFAOYSA-N ChemAxon polar_surface_area 265.16 ChemAxon refractivity 118.21 ChemAxon polarizability 50.6 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12155 Specdb::MsMs 12156 Specdb::MsMs 12157 Specdb::MsMs 18827 Specdb::MsMs 18828 Specdb::MsMs 18829 Specdb::MsMs 2338267 Specdb::MsMs 2338268 Specdb::MsMs 2338269 Specdb::MsMs 2624879 Specdb::MsMs 2624880 Specdb::MsMs 2624881 Specdb::NmrOneD 127118 Specdb::NmrOneD 127119 Specdb::NmrOneD 127120 Specdb::NmrOneD 127121 Specdb::NmrOneD 127122 Specdb::NmrOneD 127123 Specdb::NmrOneD 127124 Specdb::NmrOneD 127125 Specdb::NmrOneD 127126 Specdb::NmrOneD 127127 Specdb::NmrOneD 127128 Specdb::NmrOneD 127129 Specdb::NmrOneD 127130 Specdb::NmrOneD 127131 Specdb::NmrOneD 127132 Specdb::NmrOneD 127133 Specdb::NmrOneD 127134 Specdb::NmrOneD 127135 Specdb::NmrOneD 127136 Specdb::NmrOneD 127137 Specdb::CMs 12224 Specdb::CMs 43988 Specdb::CMs 281634 Specdb::CMs 305854 Specdb::CMs 305855 Specdb::CMs 305856 Specdb::CMs 305857 Specdb::CMs 305858 Specdb::CMs 305859 Specdb::CMs 305860 Specdb::CMs 305861 Specdb::CMs 305862 Specdb::CMs 305863 Specdb::CMs 305864 Specdb::CMs 305865 Specdb::CMs 305866 Specdb::CMs 305867 Specdb::CMs 305868 Specdb::CMs 305869 Specdb::CMs 305870 Specdb::CMs 305871 Specdb::CMs 305872 Specdb::CMs 305873 Specdb::CMs 305874 Specdb::CMs 305875 HMDB0034675 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic