102139409
  CDK     0118221227

 17 16  0  0  0  0  0  0  0  0999 V2000
    7.3659   -0.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.6683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  2 14  1  0  0  0  0 
  3 12  2  0  0  0  0 
  4 16  2  0  0  0  0 
  5  7  1  0  0  0  0 
  5 12  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 13  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:189382

> <NAME>
3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-5-oxohexanamide

> <STAR>
2

> <IUPAC_NAME>
3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-5-oxohexanamide

> <FORMULA>
C12H23NO4

> <MASS>
245.319

> <MONOISOTOPIC_MASS>
245.16271

> <CHARGE>
0

> <SMILES>
OCC(NC(=O)CC(O)CC(=O)C)C(CC)C

> <INCHI>
InChI=1S/C12H23NO4/c1-4-8(2)11(7-14)13-12(17)6-10(16)5-9(3)15/h8,10-11,14,16H,4-7H2,1-3H3,(H,13,17)

> <INCHIKEY>
FCGLCOKPOTZYII-UHFFFAOYSA-N

$$$$