Metabolomics Structure Database

 
MW REGNO: 37030
Common Name:3-Methoxytyramine
Systematic Name:4-(2-aminoethyl)-2-methoxyphenol
RefMet Name:3-Methoxytyramine
Synonyms: [PubChem Synonyms]
Exact Mass:
167.0946 (neutral)    Calculate m/z:
Formula:C9H13NO2
InChIKey:DIVQKHQLANKJQO-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Phenols [C0000134]
ClassyFire subclass:Methoxyphenols [C0000190]
ClassyFire direct parent:Methoxyphenols [C0000190]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:COc1cc(CCN)ccc1O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:1669
CHEBI ID:742324
HMDB ID:HMDB0000022
KEGG ID:C05587
Chemspider ID:1606
METLIN ID:5094
BMRB ID:bmse000958
MetaCyc ID:CPD-7650
NP-MRD ID(NMR):NP0001274

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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