RefMet Compound Details

RefMet IDRM0135333
MW structure28192 (View MW Metabolite Database details)
RefMet nameBornane-2,5-dione
Systematic name(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-dione
SMILESCC1(C)[C@H]2CC(=O)[C@]1(C)CC2=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass166.099380 (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
FormulaC10H14O2View other entries in RefMet with this formula
InChIInChI=1S/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3/t6-,10-/m0/s1
InChIKeyUDIUFGIXIGLRSM-WKEGUHRASA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassC10 isoprenoids
Pubchem CID6971264
ChEBI ID15392
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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