Metabolomics Structure Database

 
MW REGNO: 26439
Common Name:5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 3'-glucoside
Systematic Name:5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 3'-glucoside
RefMet Name:5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 3'-glucoside
Synonyms: [PubChem Synonyms]
Exact Mass:
568.1428 (neutral)    Calculate m/z:
Formula:C25H28O15
InChIKey:VYIDBRYAABOPSC-IEAININASA-N
LIPID MAPS Category:Polyketides [PK]
LIPID MAPS mainclass:Flavonoids [PK12]
LIPID MAPS subclass:Flavones and Flavonols [PK1211]
SMILES:COc1c2OC(c3cc(O)c(OC)c(c3)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(OC)C(=O)c2c(O)c(OC)c1O
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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