RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136431
RefMet name	Nitrofurazone
Systematic name	[(E)-[(5-nitrofuran-2-yl)methylidene]amino]urea
Synonyms	PubChem Synonyms
Exact mass	198.038906 (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	C6H6N4O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	42715 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+
InChIKey	IAIWVQXQOWNYOU-FPYGCLRLSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc([N+](=O)[O-])oc1/C=N/NC(=O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Furans
Sub Class	Nitrofurans
Distribution of Nitrofurazone 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 Nitrofurazone
External Links
Pubchem CID	5447130
ChEBI ID	44368
KEGG ID	C08042
HMDB ID	HMDB0014480
Chemspider ID	4566720
EPA CompTox	DTXCID90944
Spectral data for Nitrofurazone standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)