Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	23182
Common Name:	Flavone
Systematic Name:	2-phenylchromen-4-one
RefMet Name:	Flavone
Synonyms:	[PubChem Synonyms]
Exact Mass:	222.0681 (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:	C15H10O2
InChIKey:	VHBFFQKBGNRLFZ-UHFFFAOYSA-N
LIPID MAPS Category:	Polyketides [PK]
LIPID MAPS mainclass:	Flavonoids [PK12]
LIPID MAPS subclass:	Flavones and Flavonols [PK1211]
MoNA MS spectra:	View MS spectra
SMILES:	c1ccc(cc1)c1cc(=O)c2ccccc2o1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	10680
LIPID MAPS ID:	LMPK12110097
CHEBI ID:	42491
HMDB ID:	HMDB0003075
KEGG ID:	C10043
Chemspider ID:	10230
METLIN ID:	3359
BMRB ID:	bmse000945
MetaCyc ID:	CPD-8485
EPA CompTox DB:	DTXCID602048
Plant Metabolite Hub(Pmhub):	MS000002269

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