1.0 2010-04-08 22:11:53 UTC 2025-11-19 00:55:41 UTC FDB015506 Botryodiplodin Mycotoxin production by Botryodiplodia theobromae, Penicillium carneoluteus and Penicillium roquefortii. Isolated from P. roquefortii infected corn silage 1-(Tetrahydro-5-hydroxy-4-methyl-3-furanyl)-ethanone 1-(Tetrahydro-5-hydroxy-4-methyl-3-furanyl)ethanone 1-(Tetrahydro-5-hydroxy-4-methyl-3-furanyl)ethanone, 9CI 2-Hydroxy-3-methyl-4-acetyltetrahydrofuran 2-Hydroxy-3-methyl-4-acetyltetrahydrofurane 4-Acetyl-2-hydroxy-3-methyltetrahydrofuran Antibiotic PSX 1 Botrydiplodin Botryodiplodin (synthetic) Botryodipolodin Botyrodiplodin Cytostipin Ethanone, 1-(tetrahydro-5-hydroxy-4-methyl-3-furanyl)- Ketone, methyl tetrahydro-5-hydroxy-4-methyl-3-furyl Methyltetrahydro-5-hydroxy-4-methyl-3-furyl-ketone C7H12O3 144.1684 144.07864425 1-(5-hydroxy-4-methyloxolan-3-yl)ethan-1-one 1-(5-hydroxy-4-methyloxolan-3-yl)ethanone 27098-03-9 CC1C(O)OCC1C(C)=O InChI=1S/C7H12O3/c1-4-6(5(2)8)3-10-7(4)9/h4,6-7,9H,3H2,1-2H3 CLYSZQBIUYRLNX-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. Tetrahydrofurans Organic compounds Organoheterocyclic compounds Tetrahydrofurans Aliphatic heteromonocyclic compounds Hemiacetals Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Carbonyl group Hemiacetal Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp -0.52 ALOGPS logs 0.37 ALOGPS solubility 3.38e+02 g/l ALOGPS melting_point Mp 50-52° logp 0.13 ChemAxon pka_strongest_acidic 12.17 ChemAxon pka_strongest_basic -4 ChemAxon iupac 1-(5-hydroxy-4-methyloxolan-3-yl)ethan-1-one ChemAxon average_mass 144.1684 ChemAxon mono_mass 144.07864425 ChemAxon smiles CC1C(O)OCC1C(C)=O ChemAxon formula C7H12O3 ChemAxon inchi InChI=1S/C7H12O3/c1-4-6(5(2)8)3-10-7(4)9/h4,6-7,9H,3H2,1-2H3 ChemAxon inchikey CLYSZQBIUYRLNX-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 35.75 ChemAxon polarizability 14.88 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14362 Specdb::CMs 44918 Specdb::CMs 149109 Specdb::MsMs 9509 Specdb::MsMs 9510 Specdb::MsMs 9511 Specdb::MsMs 12620 Specdb::MsMs 12621 Specdb::MsMs 12622 Specdb::MsMs 16181 Specdb::MsMs 16182 Specdb::MsMs 16183 Specdb::MsMs 19292 Specdb::MsMs 19293 Specdb::MsMs 19294 Specdb::MsMs 2461111 Specdb::MsMs 2461112 Specdb::MsMs 2461113 Specdb::MsMs 2477030 Specdb::MsMs 2477031 Specdb::MsMs 2477032 Specdb::NmrOneD 136610 Specdb::NmrOneD 136611 Specdb::NmrOneD 136612 Specdb::NmrOneD 136613 Specdb::NmrOneD 136614 Specdb::NmrOneD 136615 Specdb::NmrOneD 136616 Specdb::NmrOneD 136617 Specdb::NmrOneD 136618 Specdb::NmrOneD 136619 Specdb::NmrOneD 136620 Specdb::NmrOneD 136621 Specdb::NmrOneD 136622 Specdb::NmrOneD 136623 Specdb::NmrOneD 136624 Specdb::NmrOneD 136625 Specdb::NmrOneD 136626 Specdb::NmrOneD 136627 Specdb::NmrOneD 136628 Specdb::NmrOneD 136629 HMDB36594 #<Reference:0x000055ce31738ea8>