Metabolomics Structure Database

 
MW REGNO: 199703
Common Name:3-Methoxytyramine sulfate
Systematic Name:[4-(2-aminoethyl)-2-methoxyphenyl] hydrogen sulfate
RefMet Name:3-Methoxytyramine sulfate
Synonyms: [PubChem Synonyms]
Exact Mass:
247.0514 (neutral)    Calculate m/z:
Formula:C9H13NO5S
InChIKey:ORZHQEJEAKXCJA-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives
ClassyFire class:Organic sulfuric acids and derivatives
ClassyFire subclass:Arylsulfates
ClassyFire direct parent:Phenylsulfates
SMILES:COc1cc(ccc1OS(=O)(=O)O)CCN
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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