Metabolomics Structure Database

 
MW REGNO: 42803
Common Name:Dipivefrin
Systematic Name:2-[(2,2-dimethylpropanoyl)oxy]-5-[1-hydroxy-2-(methylamino)ethyl]phenyl 2,2-dimethylpropanoate
RefMet Name:Dipivefrin
Synonyms: [PubChem Synonyms]
Exact Mass:
351.2046 (neutral)    Calculate m/z:
Formula:C19H29NO5
InChIKey:OCUJLLGVOUDECM-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Phenol esters [C0002319]
ClassyFire subclass:Phenol esters [C0002319]
ClassyFire direct parent:Aromatic homomonocyclic compounds
SMILES:CC(C)(C)C(=O)Oc1ccc(cc1OC(=O)C(C)(C)C)C(CNC)O
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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