10199004
  CDK     0409211651

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.7934   -0.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -2.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1 15  1  0  0  0  0 
  2 15  2  0  0  0  0 
  3 18  1  0  0  0  0 
  4 18  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5 11  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:169181

> <NAME>
Monomenthyl succinate

> <STAR>
2

> <IUPAC_NAME>
4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-oxobutanoic acid

> <FORMULA>
C14H24O4

> <MASS>
256.342

> <MONOISOTOPIC_MASS>
256.16746

> <CHARGE>
0

> <SMILES>
O(C1C(CCC(C1)C)C(C)C)C(=O)CCC(O)=O

> <INCHI>
InChI=1S/C14H24O4/c1-9(2)11-5-4-10(3)8-12(11)18-14(17)7-6-13(15)16/h9-12H,4-8H2,1-3H3,(H,15,16)

> <INCHIKEY>
BLILOGGUTRWFNI-UHFFFAOYSA-N

$$$$