Metabolomics Structure Database
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MW REGNO: | 38182 |
Common Name: | 2-Hydroxycinnamic acid |
Systematic Name: | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid |
RefMet Name: | trans-o-Coumaric acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C9H8O3 |
InChIKey: | PMOWTIHVNWZYFI-AATRIKPKSA-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 |
SMILES: | c1ccc(c(c1)/C=C/C(=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