RefMet Compound Details

RefMet ID	RM0040198
MW structure	22176 (View MW Metabolite Database details)
RefMet name	Daidzein
Systematic name	7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILES	c1cc(ccc1c1coc2cc(ccc2c1=O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
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
Super Class	Polyketides
Main Class	Flavonoids
Sub Class	Isoflavonoids
Pubchem CID	5281708
ChEBI ID	28197
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