1.0 2011-09-21 00:25:47 UTC 2015-07-21 06:57:34 UTC FDB023177 4-Pyridoxolactone 4-Pyridoxolactone is a bacterial oxidation metabolite of vitamin B6 (KEGG) [HMDB] 4-Pyridoxate lactone 4-pyridoxic acid lactone beta-Pyracin C8H7NO3 165.1461 165.042593095 7-hydroxy-6-methyl-1H,3H-furo[3,4-c]pyridin-1-one 4-pyridoxolactone 4753-19-9 CC1=NC=C2COC(=O)C2=C1O InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3 HHPDVQLBYQFYFA-UHFFFAOYSA-N belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. Pyridinecarboxylic acids Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Aromatic heteropolycyclic compounds Azacyclic compounds Carboxylic acid esters Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyridines Lactones Methylpyridines Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Vinylogous acids Aromatic heteropolycyclic compound Azacycle Carboxylic acid derivative Carboxylic acid ester Heteroaromatic compound Hydrocarbon derivative Hydroxypyridine Lactone Methylpyridine Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyridine carboxylic acid Vinylogous acid a small molecule furopyridine lactone Solid logp 0.44 ALOGPS logs -0.95 ALOGPS solubility 1.86e+01 g/l ALOGPS logp 0.79 ChemAxon pka_strongest_acidic 9.3 ChemAxon pka_strongest_basic 4.27 ChemAxon iupac 7-hydroxy-6-methyl-1H,3H-furo[3,4-c]pyridin-1-one ChemAxon average_mass 165.1461 ChemAxon mono_mass 165.042593095 ChemAxon smiles CC1=NC=C2COC(=O)C2=C1O ChemAxon formula C8H7NO3 ChemAxon inchi InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3 ChemAxon inchikey HHPDVQLBYQFYFA-UHFFFAOYSA-N ChemAxon polar_surface_area 59.42 ChemAxon refractivity 41.05 ChemAxon polarizability 15.42 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 179838 Specdb::MsMs 179839 Specdb::MsMs 179840 Specdb::MsMs 182172 Specdb::MsMs 182173 Specdb::MsMs 182174 Specdb::MsMs 2731684 Specdb::MsMs 2731685 Specdb::MsMs 2731686 Specdb::MsMs 2977340 Specdb::MsMs 2977341 Specdb::MsMs 2977342 Specdb::MsIr 1981 Specdb::MsIr 1982 Specdb::MsIr 1983 Specdb::CMs 3290 Specdb::CMs 38607 Specdb::CMs 134006 Specdb::CMs 141740 Specdb::NmrOneD 21962 Specdb::NmrOneD 21963 Specdb::NmrOneD 21964 Specdb::NmrOneD 21965 Specdb::NmrOneD 21966 Specdb::NmrOneD 21967 Specdb::NmrOneD 21968 Specdb::NmrOneD 21969 Specdb::NmrOneD 21970 Specdb::NmrOneD 21971 Specdb::NmrOneD 21972 Specdb::NmrOneD 21973 Specdb::NmrOneD 21974 Specdb::NmrOneD 21975 Specdb::NmrOneD 21976 Specdb::NmrOneD 21977 Specdb::NmrOneD 21978 Specdb::NmrOneD 21979 Specdb::NmrOneD 21980 Specdb::NmrOneD 21981 HMDB03454 16871 4PL #<Reference:0x000055ce32c76ce8> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823