Metabolomics Structure Database

 
MW REGNO: 46190
Common Name:3-(2-Hydroxyphenyl)propanoic acid
Systematic Name:3-(2-hydroxyphenyl)propanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
166.0630 (neutral)    Calculate m/z:
Formula:C9H10O3
InChIKey:CJBDUOMQLFKVQC-UHFFFAOYSA-N
ClassyFire superclass:Phenylpropanoids and polyketides [C0000261]
ClassyFire class:Phenylpropanoic acids [C0002551]
ClassyFire subclass:Phenylpropanoic acids [C0002551]
ClassyFire direct parent:Aromatic homomonocyclic compounds
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:873
CHEBI ID:16104
HMDB ID:HMDB0033752
KEGG ID:C01198
Chemspider ID:850
BMRB ID:bmse000331

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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