RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0021699
RefMet name(2S)-Flavan-4-ol
Systematic name(2S)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SynonymsPubChem Synonyms
Exact mass226.099380 (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
FormulaC15H14O2View other entries in RefMet with this formula
Molecular descriptors
Molfile50182 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2/t13?,15-/m0/s1
InChIKeyYTMFRMLVZQOBDR-WUJWULDRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1ccc(cc1)[C@@H]1CC(c2ccccc2O1)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassFlavans, Flavanols and Leucoanthocyanidins
Distribution of (2S)-Flavan-4-ol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting (2S)-Flavan-4-ol
External Links
Pubchem CID439712
ChEBI ID15605
KEGG IDC02345
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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