Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	23907
Common Name:	Diosmetin
Systematic Name:	5,7,3'-Trihydroxy-4'-methoxyflavone
RefMet Name:	Diosmetin
Synonyms:	4'-Methylluteolin [PubChem Synonyms]
Exact Mass:	300.0634 (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:	C16H12O6
InChIKey:	MBNGWHIJMBWFHU-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:	COc1ccc(cc1O)c1cc(=O)c2c(cc(cc2o1)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5281612
LIPID MAPS ID:	LMPK12110824
CHEBI ID:	4630
HMDB ID:	HMDB0029676
KEGG ID:	C10038
Chemspider ID:	4444931
NP-MRD ID(NMR):	NP0024991
EPA CompTox DB:	DTXCID40122457
Plant Metabolite Hub(Pmhub):	MS000000019
PhytoHub ID:	PHUB000880

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