RefMet Compound Details

MW structure2265 (View MW Metabolite Database details)
RefMet name9,10-DiHOME
Systematic name9,10-dihydroxy-12Z-octadecenoic acid
SMILESCCCCC/C=C\CC(O)C(O)CCCCCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass314.245710 (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
FormulaC18H34O4View other entries in RefMet with this formula
InChIKeyXEBKSQSGNGRGDW-YFHOEESVSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassOctadecanoids
Sub ClassDiHOME
Pubchem CID9966640
Annotation level2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)