Metabolomics Structure Database

 
MW REGNO: 27715
Common Name:Sakuranin
Systematic Name:2-(4-hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
RefMet Name:Sakuranin
Synonyms: [PubChem Synonyms]
Exact Mass:
448.1370 (neutral)    Calculate m/z:
Formula:C22H24O10
InChIKey:NEPMMBQHELYZIW-UHFFFAOYSA-N
LIPID MAPS Category:Polyketides [PK]
LIPID MAPS mainclass:Flavonoids [PK12]
LIPID MAPS subclass:Flavanones [PK1214]
SMILES:COc1cc2c(C(=O)CC(c3ccc(cc3)O)O2)c(c1)OC1C(C(C(C(CO)O1)O)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:348162
LIPID MAPS ID:LMPK12140564
HMDB ID:HMDB0302696
Plant Metabolite Hub(Pmhub):MS000002826

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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