1.0 2010-04-08 22:05:35 UTC 2019-11-26 02:58:10 UTC FDB002923 (2E,11Z)-Wyerone acid Isolated from broad bean leaves (Vicia faba) infected with Botrytis subspecies (2E,11Z)-Wyerone acid is found in pulses. C14H12O4 244.2427 244.073558872 (2Z)-3-{5-[(4Z)-hept-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acid (2Z)-3-{5-[(4Z)-hept-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acid CC\C=C/C#CC(=O)C1=CC=C(O1)\C=C/C(O)=O InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3-,10-8- ZLZFXXJOALTVDA-YHOGECKDSA-N belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid. Furanoid fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aromatic heteromonocyclic compounds Alpha,beta-unsaturated ketones Aryl ketones Carboxylic acids Furans Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Alpha,beta-unsaturated ketone Aromatic heteromonocyclic compound Aryl ketone Carbonyl group Carboxylic acid Carboxylic acid derivative Furan Furanoid fatty acid Heteroaromatic compound Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 2.94 ALOGPS logs -3.97 ALOGPS solubility 2.63e-02 g/l ALOGPS logp 2.89 ChemAxon pka_strongest_acidic 2.2 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac (2Z)-3-{5-[(4Z)-hept-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acid ChemAxon average_mass 244.2427 ChemAxon mono_mass 244.073558872 ChemAxon smiles CC\C=C/C#CC(=O)C1=CC=C(O1)\C=C/C(O)=O ChemAxon formula C14H12O4 ChemAxon inchi InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3-,10-8- ChemAxon inchikey ZLZFXXJOALTVDA-YHOGECKDSA-N ChemAxon polar_surface_area 67.51 ChemAxon refractivity 69.29 ChemAxon polarizability 25.13 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24346 Specdb::CMs 42262 Specdb::CMs 154927 Specdb::MsMs 97995 Specdb::MsMs 97996 Specdb::MsMs 97997 Specdb::MsMs 162813 Specdb::MsMs 162814 Specdb::MsMs 162815 Specdb::MsMs 2325270 Specdb::MsMs 2325271 Specdb::MsMs 2325272 Specdb::MsMs 2610434 Specdb::MsMs 2610435 Specdb::MsMs 2610436 HMDB30946 #<Reference:0x000055ce32068ca8> Pulses Unknown generic