1.0 2010-04-08 22:12:11 UTC 2025-11-19 01:37:18 UTC FDB016018 Glycinoeclepin A Isolated from kidney bean roots. Glycinoeclepin A is found in many foods, some of which are green bean, common bean, pulses, and yellow wax bean. C25H34O7 446.5333 446.230453442 (1S,7R,7aS)-1-[(2R)-1-carboxypropan-2-yl]-5-{[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl}-7-hydroxy-1,7a-dimethyl-2,6,7,7a-tetrahydro-1H-indene-4-carboxylic acid (1S,7R,7aS)-1-[(2R)-1-carboxypropan-2-yl]-5-{[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl}-7-hydroxy-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid 83216-10-8 C[C@H](CC(O)=O)[C@]1(C)CC=C2C(C(O)=O)=C(C[C@]34CC[C@H](O3)C(C)(C)C4=O)C[C@@H](O)[C@@]12C InChI=1S/C25H34O7/c1-13(10-18(27)28)23(4)8-6-15-19(20(29)30)14(11-16(26)24(15,23)5)12-25-9-7-17(32-25)22(2,3)21(25)31/h6,13,16-17,26H,7-12H2,1-5H3,(H,27,28)(H,29,30)/t13-,16-,17+,23+,24+,25+/m1/s1 XOLYVYHBERHQBZ-FMNVCWJRSA-N belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl chain. Heterocyclic fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic heteropolycyclic compounds Carboxylic acids Dialkyl ethers Dicarboxylic acids and derivatives Furanones Hydrocarbon derivatives Hydroxy fatty acids Ketones Methyl-branched fatty acids Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans 3-furanone Alcohol Aliphatic heteropolycyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Dicarboxylic acid or derivatives Ether Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Ketone Methyl-branched fatty acid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran logp 2.81 ALOGPS logs -4.23 ALOGPS solubility 2.63e-02 g/l ALOGPS logp 2.89 ChemAxon pka_strongest_acidic 4.09 ChemAxon pka_strongest_basic -0.36 ChemAxon iupac (1S,7R,7aS)-1-[(2R)-1-carboxypropan-2-yl]-5-{[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl}-7-hydroxy-1,7a-dimethyl-2,6,7,7a-tetrahydro-1H-indene-4-carboxylic acid ChemAxon average_mass 446.5333 ChemAxon mono_mass 446.230453442 ChemAxon smiles C[C@H](CC(O)=O)[C@]1(C)CC=C2C(C(O)=O)=C(C[C@]34CC[C@H](O3)C(C)(C)C4=O)C[C@@H](O)[C@@]12C ChemAxon formula C25H34O7 ChemAxon inchi InChI=1S/C25H34O7/c1-13(10-18(27)28)23(4)8-6-15-19(20(29)30)14(11-16(26)24(15,23)5)12-25-9-7-17(32-25)22(2,3)21(25)31/h6,13,16-17,26H,7-12H2,1-5H3,(H,27,28)(H,29,30)/t13-,16-,17+,23+,24+,25+/m1/s1 ChemAxon inchikey XOLYVYHBERHQBZ-FMNVCWJRSA-N ChemAxon polar_surface_area 121.13 ChemAxon refractivity 117.23 ChemAxon polarizability 47.48 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14182 Specdb::CMs 45193 Specdb::CMs 172989 Specdb::MsMs 101904 Specdb::MsMs 101905 Specdb::MsMs 101906 Specdb::MsMs 167595 Specdb::MsMs 167596 Specdb::MsMs 167597 Specdb::MsMs 2801680 Specdb::MsMs 2801681 Specdb::MsMs 2801682 Specdb::MsMs 2879768 Specdb::MsMs 2879769 Specdb::MsMs 2879770 HMDB37037 #<Reference:0x000055ce31d15f38> Common bean Type 1 specific Phaseolus vulgaris 3885 Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Yellow wax bean Type 1 specific Phaseolus vulgaris 3885