Met005779: 2-Furoate
Metabolite Information
Name
2-Furoate
IUPAC Name
furan-2-carboxylate
Molecular Formula
C5H4O3
Molecular Weight
111.08
Exact Mass
111.008219
SMILES
C1=COC(=C1)C(=O)[O-]
InChIKey
SMNDYUVBFMFKNZ-UHFFFAOYSA-M
InChI
InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)/p-1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Furans
Subclass:
Furoic acid and derivatives
Crops containing this metabolite
astragalus
cassava
maize
rice
soybean
morus
leonurus
cassava
maize
rice
soybean
morus
leonurus
Metabolite Spectrum Accession Label