14402359
  CDK     0910211425

 17 16  0  0  0  0  0  0  0  0999 V2000
    6.6515   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6529    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0 
  2 17  1  0  0  0  0 
  3 17  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 14  1  0  0  0  0 
 11 13  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:180095

> <NAME>
7-Oxotetradecanoic acid

> <STAR>
2

> <IUPAC_NAME>
7-oxotetradecanoic acid

> <FORMULA>
C14H26O3

> <MASS>
242.359

> <MONOISOTOPIC_MASS>
242.18819

> <CHARGE>
0

> <SMILES>
O=C(CCCCCCC)CCCCCC(O)=O

> <INCHI>
InChI=1S/C14H26O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h2-12H2,1H3,(H,16,17)

> <INCHIKEY>
CDYSHNKYPKNGES-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01060189

$$$$