Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	56880
Common Name:	(-)-dihydromyricetin
Systematic Name:	(2S,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
RefMet Name:	Dihydromyricetin
Synonyms:	(2S,3S)-3,5,7,3',4',5'-hexahydroxyflavanone [PubChem Synonyms]
Exact Mass:	320.0532 (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:	C15H12O8
InChIKey:	KJXSIXMJHKAJOD-CABCVRRESA-N
ClassyFire superclass:	Phenylpropanoids and polyketides [C0000261]
ClassyFire class:	Flavonoids [C0000334]
ClassyFire subclass:	Flavans [C0000337]
ClassyFire direct parent:	Epigallocatechins [C0001594]
MoNA MS spectra:	View MS spectra
SMILES:	c1c(cc(c(c1O)O)O)[C@H]1[C@@H](C(=O)c2c(cc(cc2O1)O)O)O
Studies:	Available studies (via RefMet name)

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PubChem CID:	12306070
CHEBI ID:	48027

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