1.0 2010-04-08 22:05:48 UTC 2019-11-26 02:59:12 UTC FDB003432 Gibberellin A94 Constituent of Triticum aestivum (wheat). Gibberellin A94 is found in wheat, cereals and cereal products, and common wheat. GA94 Gibberellin A94 C19H22O6 346.3744 346.141638436 15-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹²,¹⁴]octadecane-9-carboxylic acid 15-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹²,¹⁴]octadecane-9-carboxylic acid 188895-37-6 CC12C3OC3C(O)C3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O InChI=1S/C19H22O6/c1-7-5-18-6-8(7)3-4-9(18)19-12(10(18)15(21)22)17(2,16(23)25-19)14-11(24-14)13(19)20/h8-14,20H,1,3-6H2,2H3,(H,21,22) GKOVHAGMHIIKFS-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 logp 1.06 ALOGPS logs -2.01 ALOGPS solubility 3.35e+00 g/l ALOGPS melting_point Mp 142-144° logp 0.88 ChemAxon pka_strongest_acidic 4.1 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 15-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹²,¹⁴]octadecane-9-carboxylic acid ChemAxon average_mass 346.3744 ChemAxon mono_mass 346.141638436 ChemAxon smiles CC12C3OC3C(O)C3(OC1=O)C1CCC4CC1(CC4=C)C(C23)C(O)=O ChemAxon formula C19H22O6 ChemAxon inchi InChI=1S/C19H22O6/c1-7-5-18-6-8(7)3-4-9(18)19-12(10(18)15(21)22)17(2,16(23)25-19)14-11(24-14)13(19)20/h8-14,20H,1,3-6H2,2H3,(H,21,22) ChemAxon inchikey GKOVHAGMHIIKFS-UHFFFAOYSA-N ChemAxon polar_surface_area 96.36 ChemAxon refractivity 82.98 ChemAxon polarizability 34.73 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15427 Specdb::CMs 42449 Specdb::MsMs 65406 Specdb::MsMs 65407 Specdb::MsMs 65408 Specdb::MsMs 122805 Specdb::MsMs 122806 Specdb::MsMs 122807 HMDB31365 #<Reference:0x000055ce319b76c0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Common wheat Type 1 specific Triticum aestivum 4565 Wheat Type 1 specific Triticum 4564