RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0022041
RefMet name2,3',4,6-Tetrahydroxybenzophenone
Systematic name(3-hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone
SynonymsPubChem Synonyms
Exact mass246.052825 (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
FormulaC13H10O5View other entries in RefMet with this formula
Molecular descriptors
Molfile50234 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C13H10O5/c14-8-3-1-2-7(4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H
InChIKeyQWRYPHZJTWQLFX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(cc(c1)O)C(=O)c1c(cc(cc1O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassBenzophenones
Distribution of 2,3',4,6-Tetrahydroxybenzophenone in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 2,3',4,6-Tetrahydroxybenzophenone
External Links
Pubchem CID440991
ChEBI ID15718
KEGG IDC06355
MetaCyc ID2346-TETRAHYDROXYBENZOPHENONE
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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