Secondary metabolite: Flammulinolide F Summary Molecular formula: C14H18O3
SMILES: O=C1OCC2=C1[C@@](C)(O)C[C@@H]1C2=CC(C1)(C)C InChI: InChI=1S/C14H18O3/c1-13(2)4-8-5-14(3,16)11-10(9(8)6-13)7-17-12(11)15/h6,8,16H,4-5,7H2,1-3H3/t8-,14+/m1/s1 InChIKey: OJRWXMRIJUQTIK-CLAHSXSESA-N
Chemical classification Kingdom: Organic compounds
Super class: Organoheterocyclic compounds Class: Dihydrofurans
Sub class: Furanones
Synonymous chemical names: flammulinolide f
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 234.29 Log P RDKit 1.97 Topological polar surface area (Å2 ) RDKit 46.53 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 14 Number of heavy atoms RDKit 17 Number of heteroatoms RDKit 3 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 2 Stereochemical complexity RDKit 0.14 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 5 Number of sp3 hybridized carbon atoms RDKit 9 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.64 Shape complexity RDKit 0.64 Number of rotatable bonds SwissADME 0 Number of aliphatic carbocycles RDKit 2 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 3 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 3 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 3
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