Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	23086
Common Name:	Myricetin
Systematic Name:	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
RefMet Name:	Myricetin
Synonyms:	[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:	IKMDFBPHZNJCSN-UHFFFAOYSA-N
LIPID MAPS Category:	Polyketides [PK]
LIPID MAPS mainclass:	Flavonoids [PK12]
LIPID MAPS subclass:	Flavones and Flavonols [PK1211]
Massbank MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	c1c(cc(c(c1O)O)O)c1c(c(=O)c2c(cc(cc2o1)O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5281672
LIPID MAPS ID:	LMPK12110001
CHEBI ID:	18152
HMDB ID:	HMDB0002755
KEGG ID:	C10107
Chemspider ID:	4444991
METLIN ID:	3448
NP-MRD ID(NMR):	NP0000618
EPA CompTox DB:	DTXCID60209153
Plant Metabolite Hub(Pmhub):	MS000000021
PhytoHub ID:	PHUB000694

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