Metabolomics Structure Database

 
MW REGNO: 44839
Common Name:Calystegine C1
Systematic Name:8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol
RefMet Name:Calystegine C1
Synonyms: [PubChem Synonyms]
Exact Mass:
191.0794 (neutral)    Calculate m/z:
Formula:C7H13NO5
InChIKey:GGOJRYWHKVYFQK-UHFFFAOYSA-N
ClassyFire superclass:Alkaloids and derivatives [C0000279]
ClassyFire class:Tropane alkaloids [C0000492]
ClassyFire subclass:Tropane alkaloids [C0000492]
ClassyFire direct parent:Aliphatic heteropolycyclic compounds
SMILES:C1C(C2C(C(C(C1(N2)O)O)O)O)O
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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