Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	23091
Common Name:	Luteolin
Systematic Name:	2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
RefMet Name:	Luteolin
Synonyms:	[PubChem Synonyms]
Exact Mass:	286.0477 (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:	C15H10O6
InChIKey:	IQPNAANSBPBGFQ-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:	c1cc(c(cc1c1cc(=O)c2c(cc(cc2o1)O)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:	5280445
LIPID MAPS ID:	LMPK12110006
CHEBI ID:	15864
HMDB ID:	HMDB0005800
KEGG ID:	C01514
Chemspider ID:	4444102
NP-MRD ID(NMR):	NP0000664
EPA CompTox DB:	DTXCID6040668
Plant Metabolite Hub(Pmhub):	MS000000939
PhytoHub ID:	PHUB000891

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