RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0118103
RefMet name	Furazolidone
Systematic name	3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazolidin-2-one
Synonyms	PubChem Synonyms
Exact mass	225.038572 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C8H7N3O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	42943 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+
InChIKey	PLHJDBGFXBMTGZ-WEVVVXLNSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc([N+](=O)[O-])oc1/C=N/N1CCOC1=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Furans
Sub Class	Nitrofurans
Distribution of Furazolidone in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Furazolidone
External Links
Pubchem CID	5323714
ChEBI ID	5195
KEGG ID	C07999
HMDB ID	HMDB0014752
Chemspider ID	4481255
EPA CompTox	DTXCID2021997
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)