CDK     1029232202

 18 18  0  0  0  0  0  0  0  0999 V2000
    5.0014    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1435    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  5  3  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5  8  1  6  0  0  0 
  9  6  1  0  0  0  0 
 10  7  1  0  0  0  0 
  9 11  1  1  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  1  0  0  0 
 10 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  2  0  0  0  0 
 15 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
 12 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:203919

> <NAME>
8alpha-acetoxy-5alpha-hydroxy-7-oxodecan-10-olide

> <STAR>
2

> <IUPAC_NAME>
[(2R,4R,7S)-7-hydroxy-2-methyl-5,10-dioxooxecan-4-yl] acetate

> <FORMULA>
C12H18O6

> <MASS>
258.270

> <MONOISOTOPIC_MASS>
258.11034

> <CHARGE>
0

> <SMILES>
O=C1O[C@@H](C[C@@H](OC(=O)C)C(=O)C[C@H](CC1)O)C

> <INCHI>
InChI=1S/C12H18O6/c1-7-5-11(18-8(2)13)10(15)6-9(14)3-4-12(16)17-7/h7,9,11,14H,3-6H2,1-2H3/t7-,9+,11-/m1/s1

> <INCHIKEY>
VSNVWTRDWTULGY-POZPLHJXSA-N

$$$$