Metabolomics Structure Database

 
MW REGNO: 26139
Common Name:5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone
Systematic Name:5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone
RefMet Name:5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone
Synonyms: [PubChem Synonyms]
Exact Mass:
390.0951 (neutral)    Calculate m/z:
Formula:C19H18O9
InChIKey:YEALILHFFIHIQL-UHFFFAOYSA-N
LIPID MAPS Category:Polyketides [PK]
LIPID MAPS mainclass:Flavonoids [PK12]
LIPID MAPS subclass:Flavones and Flavonols [PK1211]
SMILES:COc1cc(c(cc1OC)O)c1c(c(=O)c2c(cc(c(c2O)OC)O)o1)OC
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:44259895
LIPID MAPS ID:LMPK12113056
Plant Metabolite Hub(Pmhub):MS000033997

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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