1.0 2010-04-08 22:09:36 UTC 2018-05-28 22:51:32 UTC FDB011364 Fusarin C Production by many Fusarium subspecies in infected corn. C23H29NO7 431.4789 431.194402287 methyl (2Z,3E,5Z,7E,9E)-2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate methyl (2Z,3E,5Z,7E,9E)-2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate 79748-81-5 COC(=O)\C(=C/C)\C=C(/C)\C=C(\C)/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O InChI=1S/C23H29NO7/c1-6-17(19(27)30-5)13-15(3)12-14(2)8-7-9-16(4)18(26)23-20(31-23)22(29,10-11-25)24-21(23)28/h6-9,12-13,20,25,29H,10-11H2,1-5H3,(H,24,28)/b8-7+,14-12-,15-13+,16-9+,17-6- FZFYFSUIOSWLHW-OFIJGTIXSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic heteropolycyclic compounds Acryloyl compounds Alkanolamines Alpha-branched alpha,beta-unsaturated ketones Azacyclic compounds Dialkyl ethers Enoate esters Enones Epoxides Fatty acid esters Hydrocarbon derivatives Ketones Lactams Methyl esters Monocarboxylic acids and derivatives Morpholines Organic oxides Organopnictogen compounds Oxacyclic compounds Primary alcohols Pyrrolidine-2-ones Secondary carboxylic acid amides 2-pyrrolidone Acryloyl-group Alcohol Aliphatic heteropolycyclic compound Alkanolamine Alpha,beta-unsaturated carboxylic ester Alpha,beta-unsaturated ketone Alpha-branched alpha,beta-unsaturated-ketone Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Enoate ester Enone Ether Farsesane sesquiterpenoid Fatty acid ester Fatty acyl Hydrocarbon derivative Ketone Lactam Methyl ester Monocarboxylic acid or derivatives Morpholine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazinane Oxirane Primary alcohol Pyrrolidine Pyrrolidone Secondary carboxylic acid amide Sesquiterpenoid logp 2.17 ALOGPS logs -4.52 ALOGPS solubility 1.31e-02 g/l ALOGPS logp 2.53 ChemAxon pka_strongest_acidic 10.27 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac methyl (2Z,3E,5Z,7E,9E)-2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate ChemAxon average_mass 431.4789 ChemAxon mono_mass 431.194402287 ChemAxon smiles COC(=O)\C(=C/C)\C=C(/C)\C=C(\C)/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O ChemAxon formula C23H29NO7 ChemAxon inchi InChI=1S/C23H29NO7/c1-6-17(19(27)30-5)13-15(3)12-14(2)8-7-9-16(4)18(26)23-20(31-23)22(29,10-11-25)24-21(23)28/h6-9,12-13,20,25,29H,10-11H2,1-5H3,(H,24,28)/b8-7+,14-12-,15-13+,16-9+,17-6- ChemAxon inchikey FZFYFSUIOSWLHW-OFIJGTIXSA-N ChemAxon polar_surface_area 125.46 ChemAxon refractivity 118.21 ChemAxon polarizability 45.08 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15675 Specdb::CMs 43247 Specdb::CMs 136578 Specdb::CMs 144312 Specdb::MsMs 89784 Specdb::MsMs 89785 Specdb::MsMs 89786 Specdb::MsMs 152778 Specdb::MsMs 152779 Specdb::MsMs 152780 Specdb::MsMs 2307378 Specdb::MsMs 2307379 Specdb::MsMs 2307380 Specdb::MsMs 2654666 Specdb::MsMs 2654667 Specdb::MsMs 2654668 HMDB33337 #<Reference:0x00007f093c100fa8>