Metabolomics Structure Database

 
MW REGNO: 74649
Common Name:Luteolin-7-O-glucoside
Systematic Name:2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
RefMet Name:Luteolin-7-O-glucoside
Synonyms: [PubChem Synonyms]
Exact Mass:
448.1010 (neutral)    Calculate m/z:
Formula:C21H20O11
InChIKey:PEFNSGRTCBGNAN-HXBJIUPGSA-N
ClassyFire superclass:Phenylpropanoids and polyketides [C0000261]
ClassyFire class:Flavonoids [C0000334]
ClassyFire subclass:Flavonoid glycosides [C0001111]
ClassyFire direct parent:Flavonoid-7-O-glycosides [C0003533]
MoNA MS spectra:View MS spectra
SMILES:O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)cc(O)c12
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:45933934
Plant Metabolite Hub(Pmhub):MS000182274

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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