Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:53:56 UTC
Update Date2024-04-30 19:44:40 UTC
Metabolite IDMMDBc0030101
Metabolite Identification
Common NameTrans-4-Carboxymethylenebut-2-en-4-olide
DescriptionTrans-4-carboxymethylenebut-2-en-4-olide is a member of the chemical class known as Furans. These are compounds containing a furan ring, which is a five-member aromatic ring with one oxygen atom, four carbon atoms.
Structure
Synonyms
ValueSource
cis-DienelactoneMeSH
DienelactoneMeSH
4-Carboxymethylenebut-2-en-4-olideMeSH
Molecular FormulaC6H4O4
Average Mass140.0936
Monoisotopic Mass140.010958616
IUPAC Name2-(5-oxo-2,5-dihydrofuran-2-ylidene)acetic acid
Traditional Name(5-oxofuran-2-ylidene)acetic acid
CAS Registry Number22752-92-7
SMILES
OC(=O)C=C1OC(=O)C=C1
InChI Identifier
InChI=1S/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8)
InChI KeyAYFXPGXAZMFWNH-UHFFFAOYSA-N