Metabolomics Structure Database

 
MW REGNO: 69128
Common Name:Fruticosonine
Systematic Name:(2R,5R)-5-[1-[2-(1H-indol-3-yl)ethylamino]-1-methyl-ethyl]-2-methyl-cyclohexanone
RefMet Name:Fruticosonine
Synonyms:C09191; AC1L9C8K [PubChem Synonyms]
Exact Mass:
312.2202 (neutral)    Calculate m/z:
Formula:C20H28N2O
InChIKey:YKGQTGZOJCRHNO-GDBMZVCRSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Indoles and derivatives [C0000211]
ClassyFire subclass:Tryptamines and derivatives [C0000183]
ClassyFire direct parent:Tryptamines and derivatives [C0000183]
SMILES:C[C@@H]1CC[C@H](CC1=O)C(C)(C)NCCc1c[nH]c2ccccc12
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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