RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0040198
RefMet name	Daidzein
Systematic name	7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Synonyms	PubChem Synonyms
Exact mass	254.057910 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C15H10O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	22176 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
InChIKey	ZQSIJRDFPHDXIC-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(ccc1c1coc2cc(ccc2c1=O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Polyketides
Main Class	Flavonoids
Sub Class	Isoflavones
Distribution of Daidzein in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Daidzein
External Links
Pubchem CID	5281708
LIPID MAPS	LMPK12050038
ChEBI ID	28197
KEGG ID	C10208
HMDB ID	HMDB0003312
Chemspider ID	4445025
MetaCyc ID	DAIDZEIN
EPA CompTox	DTXCID102310
PhytoHub DB	PHUB000222
Spectral data for Daidzein standards
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Daidzein

Rxn ID	KEGG Reaction	Enzyme
R07720	Daidzein + UDP-glucose <=> Daidzin + UDP	UDP-glucose:isoflavone 7-O-beta-D-glucosyltransferase
R13051	Daidzin + H2O <=> Daidzein + beta-D-Glucose	daidzein 7-O-glucoside glucohydrolase

Table of KEGG human pathways containing Daidzein

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	2