CDK     1029232201

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.7144    0.0000    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
    0.0000   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7144   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -2.4750    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 
  6  9  2  0  0  0  0 
  6 10  1  0  0  0  0 
 11  7  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  6  0  0  0 
 11 14  1  0  0  0  0 
 12 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:202716

> <NAME>
Decarestrictine J

> <STAR>
2

> <IUPAC_NAME>
(8R,10R)-8-hydroxy-10-methyloxecane-2,4-dione

> <FORMULA>
C10H16O4

> <MASS>
200.234

> <MONOISOTOPIC_MASS>
200.10486

> <CHARGE>
0

> <SMILES>
O=C1O[C@@H](C[C@H](O)CCCC(C1)=O)C

> <INCHI>
InChI=1S/C10H16O4/c1-7-5-8(11)3-2-4-9(12)6-10(13)14-7/h7-8,11H,2-6H2,1H3/t7-,8-/m1/s1

> <INCHIKEY>
CFFWJDRYTUTBMI-HTQZYQBOSA-N

$$$$