Metabolomics Structure Database
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MW REGNO: | 204312 |
Common Name: | 2-Methylpyrogallol sulfate |
Systematic Name: | (3-hydroxy-2-methoxy-phenyl) hydrogen sulfate |
Synonyms: | 2-Methoxyresorcinol sulfate [PubChem Synonyms] |
Exact Mass: | |
Formula: | C7H8O6S |
InChIKey: | ARLAWMCEVZUXEY-UHFFFAOYSA-N |
SMILES: | COc1c(cccc1OS(=O)(=O)O)O |
Studies: | - |
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Calculated physicochemical properties:
No data available
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