Metabolomics Structure Database

 
MW REGNO: 26363
Common Name:8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
Systematic Name:8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
RefMet Name:8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
Synonyms: [PubChem Synonyms]
Exact Mass:
418.1264 (neutral)    Calculate m/z:
Formula:C21H22O9
InChIKey:VZZSHWGQMLXLPF-UHFFFAOYSA-N
LIPID MAPS Category:Polyketides [PK]
LIPID MAPS mainclass:Flavonoids [PK12]
LIPID MAPS subclass:Flavones and Flavonols [PK1211]
SMILES:COc1cc(OC)c(O)c2OC(=C(OC)C(=O)c12)c1cc(OC)c(OC)c(c1)OC
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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