Metabolomics Structure Database

 
MW REGNO: 37517
Common Name:trans-Ferulic acid
Systematic Name:(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
RefMet Name:trans-Ferulic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
194.0579 (neutral)    Calculate m/z:
Formula:C10H10O4
InChIKey:KSEBMYQBYZTDHS-HWKANZROSA-N
ClassyFire superclass:Phenylpropanoids and polyketides [C0000261]
ClassyFire class:Cinnamic acids and derivatives [C0000476]
ClassyFire subclass:Hydroxycinnamic acids and derivatives [C0001391]
ClassyFire direct parent:Hydroxycinnamic acids [C0002503]
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:COc1cc(/C=C/C(O)=O)ccc1O
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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