1.0 2020-04-06 11:17:11 UTC 2025-11-19 03:10:43 UTC FDB111736 4-Hydroxyretinoic acid glucuronide C26H36O9 492.5586 492.23593275 6-({3-[(1E,3E,5E,7E)-8-carboxy-3,7-dimethylocta-1,3,5,7-tetraen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 6-({3-[(1E,3E,5E,7E)-8-carboxy-3,7-dimethylocta-1,3,5,7-tetraen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid C\C(\C=C\C1=C(C)C(CCC1(C)C)OC1OC(C(O)C(O)C1O)C(O)=O)=C/C=C/C(/C)=C/C(O)=O InChI=1S/C26H36O9/c1-14(7-6-8-15(2)13-19(27)28)9-10-17-16(3)18(11-12-26(17,4)5)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,18,20-23,25,29-31H,11-12H2,1-5H3,(H,27,28)(H,32,33)/b8-6+,10-9+,14-7+,15-13+ LVCMXFSJTNPFHH-FRCNGJHJSA-N belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Diterpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteromonocyclic compounds Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Diterpenoids Heterocyclic fatty acids Hexoses Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Methyl-branched fatty acids O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Retinoids Saccharolipids Secondary alcohols Unsaturated fatty acids 1-o-glucuronide Acetal Alcohol Aliphatic heteromonocyclic compound Beta-hydroxy acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Diterpene glycoside Diterpenoid Fatty acid Fatty acyl Glucuronic acid or derivatives Glycosyl compound Heterocyclic fatty acid Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Medium-chain fatty acid Methyl-branched fatty acid Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Pyran Retinoic acid Retinoid skeleton Saccharolipid Secondary alcohol Unsaturated fatty acid logp 2.64 ALOGPS logs -3.71 ALOGPS solubility 9.71e-02 g/l ALOGPS logp 2.33 ChemAxon pka_strongest_acidic 3.5 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-({3-[(1E,3E,5E,7E)-8-carboxy-3,7-dimethylocta-1,3,5,7-tetraen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 492.5586 ChemAxon mono_mass 492.23593275 ChemAxon smiles C\C(\C=C\C1=C(C)C(CCC1(C)C)OC1OC(C(O)C(O)C1O)C(O)=O)=C/C=C/C(/C)=C/C(O)=O ChemAxon formula C26H36O9 ChemAxon inchi InChI=1S/C26H36O9/c1-14(7-6-8-15(2)13-19(27)28)9-10-17-16(3)18(11-12-26(17,4)5)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,18,20-23,25,29-31H,11-12H2,1-5H3,(H,27,28)(H,32,33)/b8-6+,10-9+,14-7+,15-13+ ChemAxon inchikey LVCMXFSJTNPFHH-FRCNGJHJSA-N ChemAxon polar_surface_area 153.75 ChemAxon refractivity 131.59 ChemAxon polarizability 52.96 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 36770 Specdb::CMs 48720 Specdb::CMs 136613 Specdb::CMs 144347 Specdb::MsMs 916699 Specdb::MsMs 916700 Specdb::MsMs 916701 Specdb::MsMs 965386 Specdb::MsMs 965387 Specdb::MsMs 965388 Specdb::MsMs 2748187 Specdb::MsMs 2748188 Specdb::MsMs 2748189 Specdb::MsMs 2933814 Specdb::MsMs 2933815 Specdb::MsMs 2933816 HMDB0061688 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