1.0 2010-04-08 22:11:16 UTC 2025-11-19 00:46:34 UTC FDB014445 (S)-Batatic acid obtained from sweet potato infected with Ceratostomella fimbriata. (S)-Batatic acid is found in potato. C10H12O4 196.1999 196.073558872 5-(furan-3-yl)-2-methyl-5-oxopentanoic acid 5-(furan-3-yl)-2-methyl-5-oxopentanoic acid CC(CCC(=O)C1=COC=C1)C(O)=O InChI=1S/C10H12O4/c1-7(10(12)13)2-3-9(11)8-4-5-14-6-8/h4-7H,2-3H2,1H3,(H,12,13) IVEUNBPJQOKPGL-UHFFFAOYSA-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 Aromatic heteromonocyclic compounds Aryl alkyl ketones Carboxylic acids Furans Heteroaromatic compounds Heterocyclic fatty acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aromatic heteromonocyclic compound Aryl alkyl ketone Aryl ketone Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Furan Heteroaromatic compound Heterocyclic fatty acid Hydrocarbon derivative Ketone Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 1.44 ALOGPS logs -1.71 ALOGPS solubility 3.81e+00 g/l ALOGPS melting_point Mp 88.5-89.5° logp 1.48 ChemAxon pka_strongest_acidic 4.11 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 5-(furan-3-yl)-2-methyl-5-oxopentanoic acid ChemAxon average_mass 196.1999 ChemAxon mono_mass 196.073558872 ChemAxon smiles CC(CCC(=O)C1=COC=C1)C(O)=O ChemAxon formula C10H12O4 ChemAxon inchi InChI=1S/C10H12O4/c1-7(10(12)13)2-3-9(11)8-4-5-14-6-8/h4-7H,2-3H2,1H3,(H,12,13) ChemAxon inchikey IVEUNBPJQOKPGL-UHFFFAOYSA-N ChemAxon polar_surface_area 67.51 ChemAxon refractivity 49.04 ChemAxon polarizability 19.65 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14965 Specdb::CMs 44524 Specdb::CMs 131407 Specdb::CMs 139141 Specdb::MsMs 78891 Specdb::MsMs 78892 Specdb::MsMs 78893 Specdb::MsMs 139371 Specdb::MsMs 139372 Specdb::MsMs 139373 Specdb::MsMs 2311862 Specdb::MsMs 2311863 Specdb::MsMs 2311864 Specdb::MsMs 2650820 Specdb::MsMs 2650821 Specdb::MsMs 2650822 Specdb::MsIr 6974 Specdb::MsIr 6975 Specdb::MsIr 6976 Specdb::NmrOneD 132418 Specdb::NmrOneD 132419 Specdb::NmrOneD 132420 Specdb::NmrOneD 132421 Specdb::NmrOneD 132422 Specdb::NmrOneD 132423 Specdb::NmrOneD 132424 Specdb::NmrOneD 132425 Specdb::NmrOneD 132426 Specdb::NmrOneD 132427 Specdb::NmrOneD 132428 Specdb::NmrOneD 132429 Specdb::NmrOneD 132430 Specdb::NmrOneD 132431 Specdb::NmrOneD 132432 Specdb::NmrOneD 132433 Specdb::NmrOneD 132434 Specdb::NmrOneD 132435 Specdb::NmrOneD 132436 Specdb::NmrOneD 132437 HMDB35721 #<Reference:0x000055ce317188d8> Potato Type 1 specific Solanum tuberosum 4113