Metabolomics Structure Database

 
MW REGNO: 67742
Common Name:TRICLOPYR
Systematic Name:2-[(3,5,6-trichloro-2-pyridyl)oxy]acetic acid
RefMet Name:2-[(3,5,6-trichloro-2-pyridyl)oxy]acetic acid
Synonyms:Garlon; Confront; Redeem; Dowco 233; Garlon 2 [PubChem Synonyms]
Exact Mass:
254.9257 (neutral)    Calculate m/z:
Formula:C7H4Cl3NO3
InChIKey:REEQLXCGVXDJSQ-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Pyridines and derivatives [C0000089]
ClassyFire subclass:Halopyridines [C0003970]
ClassyFire direct parent:Polyhalopyridines [C0003971]
Massbank MS spectra:View MS spectra
SMILES:c1c(c(Cl)nc(c1Cl)OCC(=O)O)Cl
Studies:Available studies (via RefMet name)

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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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