1.0 2010-04-08 22:10:35 UTC 2025-11-18 23:42:12 UTC FDB013200 (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-glucoside Constituent of rice bran. (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-glucoside is found in cereals and cereal products. (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-glucoside (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-O-b-D-glucopyranoside (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-O-b-D-glucoside C16H19NO10 385.3228 385.100895833 2-(3-hydroxy-2-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indol-3-yl)acetic acid (3-hydroxy-2-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetic acid 218604-37-6 OCC1OC(OC2=CC3=C(NC(=O)C3(O)CC(O)=O)C=C2)C(O)C(O)C1O InChI=1S/C16H19NO10/c18-5-9-11(21)12(22)13(23)14(27-9)26-6-1-2-8-7(3-6)16(25,4-10(19)20)15(24)17-8/h1-3,9,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20) KZKDOIBDOJKQAC-UHFFFAOYSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Acryloyl compounds Beta-hydroxy ketones Enones Hydrocarbon derivatives Organic oxides Tertiary alcohols b'-hydroxy-alpha,beta-unsaturated ketones Acryloyl-group Acyclic monoterpenoid Alcohol Aliphatic acyclic compound Alpha,beta-unsaturated ketone B'-hydroxy-alpha,beta-unsaturated-ketone Beta-hydroxy ketone Carbonyl group Enone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol logp -1.61 ALOGPS logs -1.08 ALOGPS solubility 3.20e+01 g/l ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 3.37 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(3-hydroxy-2-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indol-3-yl)acetic acid ChemAxon average_mass 385.3228 ChemAxon mono_mass 385.100895833 ChemAxon smiles OCC1OC(OC2=CC3=C(NC(=O)C3(O)CC(O)=O)C=C2)C(O)C(O)C1O ChemAxon formula C16H19NO10 ChemAxon inchi InChI=1S/C16H19NO10/c18-5-9-11(21)12(22)13(23)14(27-9)26-6-1-2-8-7(3-6)16(25,4-10(19)20)15(24)17-8/h1-3,9,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20) ChemAxon inchikey KZKDOIBDOJKQAC-UHFFFAOYSA-N ChemAxon polar_surface_area 186.01 ChemAxon refractivity 85.8 ChemAxon polarizability 35.47 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24601 Specdb::CMs 43987 Specdb::CMs 174150 Specdb::MsMs 70947 Specdb::MsMs 70948 Specdb::MsMs 70949 Specdb::MsMs 129519 Specdb::MsMs 129520 Specdb::MsMs 129521 Specdb::MsMs 2804223 Specdb::MsMs 2804224 Specdb::MsMs 2804225 Specdb::MsMs 2873945 Specdb::MsMs 2873946 Specdb::MsMs 2873947 Specdb::NmrOneD 127098 Specdb::NmrOneD 127099 Specdb::NmrOneD 127100 Specdb::NmrOneD 127101 Specdb::NmrOneD 127102 Specdb::NmrOneD 127103 Specdb::NmrOneD 127104 Specdb::NmrOneD 127105 Specdb::NmrOneD 127106 Specdb::NmrOneD 127107 Specdb::NmrOneD 127108 Specdb::NmrOneD 127109 Specdb::NmrOneD 127110 Specdb::NmrOneD 127111 Specdb::NmrOneD 127112 Specdb::NmrOneD 127113 Specdb::NmrOneD 127114 Specdb::NmrOneD 127115 Specdb::NmrOneD 127116 Specdb::NmrOneD 127117 HMDB0034674 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic