Metabolomics Structure Database

 
MW REGNO: 43009
Common Name:Nitrofurantoin
Systematic Name:1-[(Z)-[(5-nitrofuran-2-yl)methylidene]amino]imidazolidine-2,4-dione
RefMet Name:Nitrofurantoin
Synonyms: [PubChem Synonyms]
Exact Mass:
238.0338 (neutral)    Calculate m/z:
Formula:C8H6N4O5
InChIKey:NXFQHRVNIOXGAQ-OQFOIZHKSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Azolidines [C0002491]
ClassyFire subclass:Imidazolidines [C0000250]
ClassyFire direct parent:Hydantoins [C0002273]
MoNA MS spectra:View MS spectra
SMILES:c1cc([N+](=O)[O-])oc1/C=N\N1CC(=O)NC1=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5353830
CHEBI ID:1039679
HMDB ID:HMDB0014836
Chemspider ID:4510228
EPA CompTox DB:DTXCID90972
Plant Metabolite Hub(Pmhub):MS000002197

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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