Molecule ID: 122391282

IUPAC Name: methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate

Description: The molecule is a butenolide that is the methyl ester of 4-(4-hydroxy-5-methylidene-2-oxo-2,5-dihydrofuran-3-yl)-4-oxobutanoic acid It has a role as an Aspergillus metabolite. It is a butenolide, a methyl ester, an enol, an enone, an olefinic compound and a polyketide.

SMILES: C=C1OC(=O)C(C(=O)CCC(=O)OC)=C1O

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

InChI: InChI=1S/C10H10O6/c1-5-9(13)8(10(14)16-5)6(11)3-4-7(12)15-2/h13H,1,3-4H2,2H3

Molecular Properties:
- Polar Surface Area: 89.9 Ų
- LogP: 0.4