Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67870
Common Name:	6-Hydroxyflavone
Systematic Name:	6-hydroxy-2-phenyl-chromen-4-one
RefMet Name:	6-Hydroxyflavone
Synonyms:	6-Monohydroxyflavone; 6-Hydroxy-2-phenyl-4-benzopyrone; 6-hydroxy-2-phenylchromen-4-one; MLS000738065 [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:	GPZYYYGYCRFPBU-UHFFFAOYSA-N
LIPID MAPS Category:	Polyketides
LIPID MAPS mainclass:	Macrolides
LIPID MAPS subclass:	Macrolides
Massbank MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	c1ccc(cc1)c1cc(=O)c2cc(ccc2o1)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	72279
CHEBI ID:	34472
HMDB ID:	HMDB0141530
KEGG ID:	C14137
MetaCyc ID:	CPD-8138
NP-MRD ID(NMR):	NP0031140
EPA CompTox DB:	DTXCID202327
Plant Metabolite Hub(Pmhub):	MS000005027

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