1.0 2010-04-08 22:05:20 UTC 2019-11-26 02:57:22 UTC FDB002365 ACRL Toxin II Production by the fungus Alternaria citri on rough lemon. ACRL Toxin II is found in citrus. C17H24O5 308.3695 308.162373878 6-[(4Z,8E)-3,7-dihydroxy-6,8-dimethyldeca-4,8-dien-2-yl]-4-hydroxy-2H-pyran-2-one 6-[(4Z,8E)-3,7-dihydroxy-6,8-dimethyldeca-4,8-dien-2-yl]-4-hydroxypyran-2-one 101951-84-2 C\C=C(/C)C(O)C(C)\C=C/C(O)C(C)C1=CC(O)=CC(=O)O1 InChI=1S/C17H24O5/c1-5-10(2)17(21)11(3)6-7-14(19)12(4)15-8-13(18)9-16(20)22-15/h5-9,11-12,14,17-19,21H,1-4H3/b7-6-,10-5+ FDSYJSBLPXPUKP-JQEGGOPCSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aromatic heteromonocyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Secondary alcohols Vinylogous acids Alcohol Aromatic heteromonocyclic compound Fatty alcohol Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Secondary alcohol Vinylogous acid logp 1.60 ALOGPS logs -3.06 ALOGPS solubility 2.71e-01 g/l ALOGPS melting_point Mp 67-68° logp 2.01 ChemAxon pka_strongest_acidic 7.68 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 6-[(4Z,8E)-3,7-dihydroxy-6,8-dimethyldeca-4,8-dien-2-yl]-4-hydroxy-2H-pyran-2-one ChemAxon average_mass 308.3695 ChemAxon mono_mass 308.162373878 ChemAxon smiles C\C=C(/C)C(O)C(C)\C=C/C(O)C(C)C1=CC(O)=CC(=O)O1 ChemAxon formula C17H24O5 ChemAxon inchi InChI=1S/C17H24O5/c1-5-10(2)17(21)11(3)6-7-14(19)12(4)15-8-13(18)9-16(20)22-15/h5-9,11-12,14,17-19,21H,1-4H3/b7-6-,10-5+ ChemAxon inchikey FDSYJSBLPXPUKP-JQEGGOPCSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 88.93 ChemAxon polarizability 32.25 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 95658 Specdb::MsMs 95659 Specdb::MsMs 95660 Specdb::MsMs 159969 Specdb::MsMs 159970 Specdb::MsMs 159971 Specdb::MsMs 2682168 Specdb::MsMs 2682169 Specdb::MsMs 2682170 Specdb::MsMs 3026901 Specdb::MsMs 3026902 Specdb::MsMs 3026903 Specdb::CMs 24911 Specdb::CMs 41964 Specdb::CMs 150942 HMDB30496 #<Reference:0x000055ce31d5c208> Citrus Unknown generic