Metabolomics Structure Database
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MW REGNO: | 87172 |
Common Name: | Diphenyl phosphate |
Systematic Name: | diphenyl hydrogen phosphate |
RefMet Name: | Diphenyl phosphate |
Synonyms: | Phosphoric acid diphenyl ester [PubChem Synonyms] |
Exact Mass: | |
Formula: | C12H11O4P |
InChIKey: | ASMQGLCHMVWBQR-UHFFFAOYSA-N |
ClassyFire superclass: | Organic acids and derivatives [C0000264] |
ClassyFire class: | Organic phosphoric acids and derivatives [C0000402] |
ClassyFire subclass: | Phosphate esters [C0000408] |
ClassyFire direct parent: | Aryl phosphodiesters [C0004618] |
Massbank MS spectra: | View MS spectra |
SMILES: | c1ccc(cc1)OP(=O)(O)Oc1ccccc1 |
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