Metabolomics Structure Database
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MW REGNO: | 78532 |
Common Name: | Umbelliferone sulfate |
Systematic Name: | (2-oxochromen-7-yl) hydrogen sulfate |
RefMet Name: | Umbelliferone sulfate |
Synonyms: | 7-(Sulfooxy)coumarin [PubChem Synonyms] |
Exact Mass: | |
Formula: | C9H6O6S |
InChIKey: | LJOOSFYJELZGMR-UHFFFAOYSA-N |
ClassyFire superclass: | Phenylpropanoids and polyketides [C0000261] |
ClassyFire class: | Coumarins and derivatives [C0000145] |
ClassyFire subclass: | Coumarins and derivatives [C0000145] |
SMILES: | c1cc(cc2c1ccc(=O)o2)OS(=O)(=O)O |
Studies: | Available studies (via RefMet name) |
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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