Metabolomics Structure Database

 
MW REGNO: 47880
Common Name:xi-Norepinephrine
Systematic Name:4-(2-amino-1-hydroxyethyl)benzene-1,2-diol
RefMet Name:Xi-Norepinephrine
Synonyms: [PubChem Synonyms]
Exact Mass:
169.0739 (neutral)    Calculate m/z:
Formula:C8H11NO3
InChIKey:SFLSHLFXELFNJZ-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Phenols [C0000134]
ClassyFire subclass:Benzenediols [C0001286]
ClassyFire direct parent:Catechols [C0000135]
MoNA MS spectra:View MS spectra
SMILES:NCC(O)c1ccc(O)c(O)c1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:951
CHEBI ID:33569
HMDB ID:HMDB0037685
Chemspider ID:926
Plant Metabolite Hub(Pmhub):MS000000279

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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