Metabolomics Structure Database

 
MW REGNO: 67768
Common Name:DICLOBUTRAZOL
Systematic Name:1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
RefMet Name:Diclobutrazol
Synonyms:Dichlobutrazol; Vigilex; Dicyclobutrazole; Vigil; Diclobutrazol [BSI:ISO] [PubChem Synonyms]
Exact Mass:
327.0905 (neutral)    Calculate m/z:
Formula:C15H19Cl2N3O
InChIKey:URDNHJIVMYZFRT-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Phenethylamines [C0000186]
ClassyFire direct parent:Amphetamines and derivatives [C0000188]
MoNA MS spectra:View MS spectra
SMILES:CC(C)(C)C(C(Cc1ccc(cc1Cl)Cl)n1cncn1)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:53309
HMDB ID:HMDB0251205
KEGG ID:C11235
Plant Metabolite Hub(Pmhub):MS000022181

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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