RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0034028
RefMet nameMultifidol
Systematic name2-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
SynonymsPubChem Synonyms
Exact mass210.089210 (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
FormulaC11H14O4View other entries in RefMet with this formula
Molecular descriptors
Molfile69517 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C11H14O4/c1-3-6(2)11(15)10-8(13)4-7(12)5-9(10)14/h4-6,12-14H,3H2,1-2H3
InChIKeyASABIRFQGVWRDC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCC(C)C(=O)c1c(cc(cc1O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassPhenols
Sub ClassAcylphloroglucinols
Distribution of Multifidol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Multifidol
External Links
Pubchem CID442919
ChEBI ID134326
KEGG IDC10709
EPA CompToxDTXCID60964437
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo