1.0 2010-04-08 22:09:42 UTC 2019-11-26 03:05:04 UTC FDB011556 AF Toxin II Production by Alternaria alternata on strawberry. Phytotoxin specific to strawberry and pear. AF Toxin II is found in pomes and fruits. C17H24O6 324.3689 324.1572885 (2E,4Z,6E)-8-[(2-hydroxy-3-methylpentanoyl)oxy]-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid (2E,4Z,6E)-8-[(2-hydroxy-3-methylpentanoyl)oxy]-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid CCC(C)C(O)C(=O)OC(\C=C\C=C/C=C/C(O)=O)C1(C)CO1 InChI=1S/C17H24O6/c1-4-12(2)15(20)16(21)23-13(17(3)11-22-17)9-7-5-6-8-10-14(18)19/h5-10,12-13,15,20H,4,11H2,1-3H3,(H,18,19)/b6-5-,9-7+,10-8+ PXZGUAVTZUPRMI-WDGPHVMXSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Medium-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic heteromonocyclic compounds Branched fatty acids Carbonyl compounds Carboxylic acid esters Carboxylic acids Dialkyl ethers Dicarboxylic acids and derivatives Epoxides Fatty acid esters Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids Monosaccharides Organic oxides Oxacyclic compounds Secondary alcohols Unsaturated fatty acids Alcohol Aliphatic heteromonocyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Secondary alcohol Unsaturated fatty acid logp 2.90 ALOGPS logs -3.36 ALOGPS solubility 1.42e-01 g/l ALOGPS logp 2.4 ChemAxon pka_strongest_acidic 4.15 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac (2E,4Z,6E)-8-[(2-hydroxy-3-methylpentanoyl)oxy]-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid ChemAxon average_mass 324.3689 ChemAxon mono_mass 324.1572885 ChemAxon smiles CCC(C)C(O)C(=O)OC(\C=C\C=C/C=C/C(O)=O)C1(C)CO1 ChemAxon formula C17H24O6 ChemAxon inchi InChI=1S/C17H24O6/c1-4-12(2)15(20)16(21)23-13(17(3)11-22-17)9-7-5-6-8-10-14(18)19/h5-10,12-13,15,20H,4,11H2,1-3H3,(H,18,19)/b6-5-,9-7+,10-8+ ChemAxon inchikey PXZGUAVTZUPRMI-WDGPHVMXSA-N ChemAxon polar_surface_area 96.36 ChemAxon refractivity 87.37 ChemAxon polarizability 34.56 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23441 Specdb::CMs 43329 Specdb::CMs 151743 Specdb::MsMs 100356 Specdb::MsMs 100357 Specdb::MsMs 100358 Specdb::MsMs 165663 Specdb::MsMs 165664 Specdb::MsMs 165665 Specdb::MsMs 2815021 Specdb::MsMs 2815022 Specdb::MsMs 2815023 Specdb::MsMs 2891277 Specdb::MsMs 2891278 Specdb::MsMs 2891279 HMDB33504 #<Reference:0x000055ce2d648d58> Fruits Unknown generic Pomes Unknown generic