Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	204390
Common Name:	6,8-Dihydroxykaempferol
Systematic Name:	3,5,6,7,8-pentahydroxy-2-(4-hydroxyphenyl)chromen-4-one
RefMet Name:	6,8-Dihydroxykaempferol
Synonyms:	3,4',5,6,7,8-Hexahydroxyflavone [PubChem Synonyms]
Exact Mass:	318.0376 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C15H10O8
InChIKey:	WZIBNDUAQVRELQ-UHFFFAOYSA-N
ClassyFire superclass:	Phenylpropanoids and polyketides
ClassyFire class:	Flavonoids
ClassyFire subclass:	Flavones
ClassyFire direct parent:	Flavonols
SMILES:	c1cc(ccc1c1c(c(=O)c2c(c(c(c(c2o1)O)O)O)O)O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	12133005
HMDB ID:	HMDB0303817
PhytoHub ID:	PHUB000652

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