Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	70475
Common Name:	7-Hydroxyflavone
Systematic Name:	7-hydroxy-2-phenyl-chromen-4-one
RefMet Name:	7-Hydroxyflavone
Synonyms:	Flavone, 7-hydroxy-; 7-Hydroxy-2-phenyl-4-benzopyrone; 7-hydroxy-2-phenylchromen-4-one; 4H-1-Benzopyran-4-one, 7-hydroxy-2-phenyl- [PubChem Synonyms]
Exact Mass:	238.0630 (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:	C15H10O3
InChIKey:	MQGPSCMMNJKMHQ-UHFFFAOYSA-N
LIPID MAPS Category:	Polyketides
LIPID MAPS mainclass:	Flavonoids
LIPID MAPS subclass:	Flavones and Flavonols
Massbank MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	c1ccc(cc1)c1cc(=O)c2ccc(cc2o1)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5281894
CHEBI ID:	2268
HMDB ID:	HMDB0141531
KEGG ID:	C11264
MetaCyc ID:	CPD-8141
NP-MRD ID(NMR):	NP0031139
EPA CompTox DB:	DTXCID602328
Plant Metabolite Hub(Pmhub):	MS000004948

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