RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0033891
RefMet nameEnterolactone
Systematic name(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]tetrahydrofuran-2-one
SynonymsPubChem Synonyms
Exact mass298.120510 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC18H18O4View other entries in RefMet with this formula
Molecular descriptors
Molfile78577 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m0/s
1
InChIKeyHVDGDHBAMCBBLR-WMLDXEAASA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cccc(c2)O)cc(c1)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassLignans
Main ClassFuranoid lignans
Sub ClassTetrahydrofuran lignans
Distribution of Enterolactone in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Enterolactone
External Links
Pubchem CID10685477
ChEBI ID81555
KEGG IDC18165
HMDB IDHMDB0006101
EPA CompToxDTXCID60210269
Spectral data for Enterolactone standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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