Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0OOOO
MW REGNO: 208825
Common Name:Diisopropyl phthalate
Synonyms: [PubChem Synonyms]
Exact Mass:
250.1205 (neutral)    Calculate m/z:
Formula:C14H18O4
InChIKey:QWDBCIAVABMJPP-UHFFFAOYSA-N
SMILES:CC(C)OC(=O)c1ccccc1C(=O)OC(C)C
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:11799
EPA CompTox DB:DTXCID0020731

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

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