Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	70081
Common Name:	CNQX
Systematic Name:	7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile
RefMet Name:	CNQX
Synonyms:	6-CYANO-7-NITROQUINOXALINE-2,3-DIONE; FG-9065; ST50405216 [PubChem Synonyms]
Exact Mass:	232.0233 (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:	C9H4N4O4
InChIKey:	RPXVIAFEQBNEAX-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Diazanaphthalenes [C0004788]
ClassyFire subclass:	Benzodiazines [C0004789]
ClassyFire direct parent:	Quinoxalines [C0000486]
SMILES:	c1c(C#N)c(cc2c1[nH]c(=O)c(=O)[nH]2)[N+](=O)[O-]
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	3721046
CHEBI ID:	34468
HMDB ID:	HMDB0250384
KEGG ID:	C13668
Plant Metabolite Hub(Pmhub):	MS000023290

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