Met002429: N-Despyridinyl rosiglitazone
Metabolite Information
Name
N-Despyridinyl rosiglitazone
IUPAC Name
5-[[4-[2-(methylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular Formula
C13H16N2O3S
Molecular Weight
280.34
Exact Mass
280.0881636
SMILES
CNCCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2
InChIKey
BPSKNLFJDYBECE-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N2O3S/c1-14-6-7-18-10-4-2-9(3-5-10)8-11-12(16)15-13(17)19-11/h2-5,11,14H,6-8H2,1H3,(H,15,16,17)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Phenol ethers
Subclass:
NA
Crops containing this metabolite
kidney_bean
onion
onion
Metabolite Spectrum Accession Label