Metabolomics Structure Database
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MW REGNO: | 46190 |
Common Name: | 3-(2-Hydroxyphenyl)propanoic acid |
Systematic Name: | 3-(2-hydroxyphenyl)propanoic acid |
RefMet Name: | 3-(2-Hydroxyphenyl)propanoic acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
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 |
Massbank MS spectra: | View MS spectra |
NP-MRD NMR spectra: | View NMR spectra |
SMILES: | c1ccc(c(c1)CCC(=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