Metabolomics Structure Database

 
MW REGNO: 45088
Common Name:Carbendazim
Systematic Name:methyl N-(1H-1,3-benzodiazol-2-yl)carbamate
RefMet Name:Carbendazim
Synonyms: [PubChem Synonyms]
Exact Mass:
191.0695 (neutral)    Calculate m/z:
Formula:C9H9N3O2
InChIKey:TWFZGCMQGLPBSX-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Benzimidazoles [C0000294]
ClassyFire subclass:2-benzimidazolylcarbamic acid esters [C0004711]
ClassyFire direct parent:2-benzimidazolylcarbamic acid esters [C0004711]
Massbank MS spectra:View MS spectra
SMILES:COC(=O)Nc1[nH]c2ccccc2n1
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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