Metabolomics Structure Database

 
MW REGNO: 54156
Common Name:Dihydrolevobunolol
Systematic Name:5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
RefMet Name:Dihydrolevobunolol
Synonyms: [PubChem Synonyms]
Exact Mass:
293.1991 (neutral)    Calculate m/z:
Formula:C17H27NO3
InChIKey:LGXDICLRWHYEIS-SFVWDYPZSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Tetralins [C0000048]
ClassyFire subclass:Tetralins [C0000048]
ClassyFire direct parent:Aromatic homopolycyclic compounds
SMILES:CC(C)(C)NC[C@@H](COc1cccc2c1CCCC2O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5460507
CHEBI ID:30268

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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