1.0 2010-04-08 22:15:02 UTC 2019-11-26 03:18:57 UTC FDB020446 Gibberellin A91 Constituent of Triticum aestivum (wheat). Gibberellin A91 is found in many foods, some of which are wheat, common pea, cereals and cereal products, and common wheat. Disodium (orthosilicato(4-)-O)oxozirconate(2-) GA91 Gibberellin A91 Holmium selenide Sodium zirconium oxide silicate (Na2ZrO(SiO4)) Sodium zirconium silicate C19H24O7 364.3897 364.152203122 5,13,14-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid 5,13,14-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid 160965-01-5 CC12CC(O)C(O)C3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-12(11(17)14(22)23)16(2,15(24)26-19)6-9(20)13(19)21/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23) VDQMXBWLDLPSSR-UHFFFAOYSA-N belongs to the class of organic compounds known as c19-gibberellin 6-carboxylic acids. These are c19-gibberellins with a carboxyl group at the 6-position. C19-gibberellin 6-carboxylic acids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic heteropolycyclic compounds 2-hydroxy,20-norgibberellanes Carbonyl compounds Carboxylic acid esters Carboxylic acids Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Diterpene lactones Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxepanes Polyols Secondary alcohols Tertiary alcohols Tetrahydrofurans 2-hydroxy,20-norgibberellane 20-norgibberellane-6-carboxylic acid Alcohol Aliphatic heteropolycyclic compound Caprolactone Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Diterpene lactone Gamma butyrolactone Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Polyol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp -0.41 ALOGPS logs -1.45 ALOGPS solubility 1.28e+01 g/l ALOGPS logp -0.52 ChemAxon pka_strongest_acidic 4.11 ChemAxon pka_strongest_basic -0.9 ChemAxon iupac 5,13,14-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid ChemAxon average_mass 364.3897 ChemAxon mono_mass 364.152203122 ChemAxon smiles CC12CC(O)C(O)C3(OC1=O)C1CCC4(O)CC1(CC4=C)C(C23)C(O)=O ChemAxon formula C19H24O7 ChemAxon inchi InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-12(11(17)14(22)23)16(2,15(24)26-19)6-9(20)13(19)21/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23) ChemAxon inchikey VDQMXBWLDLPSSR-UHFFFAOYSA-N ChemAxon polar_surface_area 124.29 ChemAxon refractivity 86.81 ChemAxon polarizability 36.5 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20620 Specdb::CMs 46886 Specdb::MsMs 311935 Specdb::MsMs 311936 Specdb::MsMs 311937 Specdb::MsMs 357055 Specdb::MsMs 357056 Specdb::MsMs 357057 HMDB40651 #<Reference:0x00007f093c169030> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Common pea Type 1 specific Pisum sativum 3888 Common wheat Type 1 specific Triticum aestivum 4565 Wheat Type 1 specific Triticum 4564