Metabolomics Structure Database

 
MW REGNO: 71643
Common Name:,4-Dihydroxyphenylpropionicacid
Systematic Name:3-hydroxy-3-(4-hydroxyphenyl)propionic acid
RefMet Name:Dihydroxyphenylpropionic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
182.0580 (neutral)    Calculate m/z:
Formula:C9H10O4
InChIKey:AKWHTKRUNUYXDS-UHFFFAOYSA-N
ClassyFire superclass:Phenylpropanoids and polyketides [C0000261]
ClassyFire class:Phenylpropanoic acids [C0002551]
ClassyFire subclass:Phenylpropanoic acids [C0002551]
ClassyFire direct parent:Aromatic homomonocyclic compounds
SMILES:c1cc(ccc1C(CC(=O)O)O)O
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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