Metabolomics Structure Database

 
MW REGNO: 67980
Common Name:Fluocinolone
Systematic Name:(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
RefMet Name:Fluocinolone
Synonyms:6-alpha-Fluorotriamcinolone; EINECS 212-362-9 [PubChem Synonyms]
Exact Mass:
412.1697 (neutral)    Calculate m/z:
Formula:C21H26F2O6
InChIKey:UUOUOERPONYGOS-CLCRDYEYSA-N
LIPID MAPS Category:Sterol Lipids
LIPID MAPS mainclass:Steroids
LIPID MAPS subclass:C21 Steroids
SMILES:C[C@]12C=CC(=O)C=C1[C@H](C[C@H]1[C@@H]3C[C@H]([C@](C(=O)CO)([C@@]3(C)C[C@@H]([C@]21F)O)O)O)F
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

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