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 |
RefMet Name: | 2-Hydroxy-3-(4-hydroxyphenyl)propenoic 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: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 636708 |
CHEBI ID: | 27683 |
HMDB ID: | HMDB0006915 |
KEGG ID: | C05350 |
Chemspider ID: | 552441 |
NP-MRD ID(NMR): | NP0028355 |
Marine Natural Products DB: | CMNPD12627 |
Plant Metabolite Hub(Pmhub): | MS000018671 |
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