Metabolomics Structure Database
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MW REGNO: | 39098 |
Common Name: | 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid |
Systematic Name: | (2Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C9H8O4 |
InChIKey: | GQYBCIHRWMPOOF-YVMONPNESA-N |
ClassyFire superclass: | Benzenoids [C0002448] |
ClassyFire class: | Benzene and substituted derivatives [C0002279] |
ClassyFire subclass: | Phenylpyruvic acid derivatives [C0001276] |
ClassyFire direct parent: | Phenylpyruvic acid derivatives [C0001276] |
NP-MRD NMR spectra: | View NMR spectra |
SMILES: | c1cc(ccc1/C=C(/C(=O)O)O)O |
Studies: | - |
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Human Pathway links:
HMDB and KEGG pathways containing this metabolite
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