Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	87104
Common Name:	Fubridazole
Systematic Name:	2-(2-furyl)-1H-benzimidazole
RefMet Name:	Fubridazole
Synonyms:	Fuberidazole [PubChem Synonyms]
Exact Mass:	184.0637 (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-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C11H8N2O
InChIKey:	UYJUZNLFJAWNEZ-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Benzimidazoles [C0000294]
ClassyFire subclass:	Benzimidazoles [C0000294]
ClassyFire direct parent:	Benzimidazoles [C0000294]
SMILES:	c1ccc2c(c1)[nH]c(c1ccco1)n2
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	19756
CHEBI ID:	81926
KEGG ID:	C18737
Chemspider ID:	18609
Plant Metabolite Hub(Pmhub):	MS000026712

Calculated physicochemical properties:

No data available

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