Metabolomics Structure Database

MW REGNO: 38933
Common Name:Ecgonine
Systematic Name:(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
RefMet Name:Ecgonine
Synonyms: [PubChem Synonyms]
Exact Mass:
185.1052 (neutral)    Calculate m/z:
ClassyFire superclass:Alkaloids and derivatives [C0000279]
ClassyFire class:Tropane alkaloids [C0000492]
ClassyFire subclass:Tropane alkaloids [C0000492]
ClassyFire direct parent:Aliphatic heteropolycyclic compounds
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:91460
CHEBI ID:708641
KEGG ID:C10858
Chemspider ID:391305
Plant Metabolite Hub(Pmhub):MS000001541


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