Molecule ID: 57339198

IUPAC Name: 3-(5-acetyl-4-hydroxy-6-oxopyran-2-yl)propanoic acid

Description: The molecule is an oxo monocarboxylic acid that is propionic acid carrying a 3-acetyl-4-hydroxy-2-oxo-2H-pyran-6-yl group at position 3; it is produced by the fungus Aspergillus oryzae It has a role as a fungal metabolite. It is an oxo monocarboxylic acid, a methyl ketone, an aromatic ketone and a member of 2-pyranones.

SMILES: CC(=O)c1c(O)cc(CCC(=O)O)oc1=O

SELFIES: [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][O][C][Ring1][N][=O]

InChI: InChI=1S/C10H10O6/c1-5(11)9-7(12)4-6(16-10(9)15)2-3-8(13)14/h4,12H,2-3H2,1H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 0.4