Metabolomics Structure Database

 
MW REGNO: 21302
Common Name:8,8a-Deoxyoleandolide
Systematic Name:(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-4,6,12-trihydroxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione
RefMet Name:8,8a-Deoxyoleandolide
Synonyms: [PubChem Synonyms]
Exact Mass:
372.2512 (neutral)    Calculate m/z:
Formula:C20H36O6
InChIKey:OLPAVFVRSHWADO-KYEFFAPUSA-N
LIPID MAPS Category:Polyketides [PK]
LIPID MAPS mainclass:Macrolides and lactone polyketides [PK04]
SMILES:C[C@@H]1C[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@@H]([C@@H](C)C1=O)O)O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

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

  logo