5312919
  CDK     1106201723

 22 21  0  0  0  0  0  0  0  0999 V2000
   13.0818   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2253    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5108   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6529    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3674    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0818    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7963    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5108    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0 
  2 22  1  0  0  0  0 
  3 22  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  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 18  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:165434

> <NAME>
3-Oxononadecanoic acid

> <STAR>
2

> <IUPAC_NAME>
3-oxononadecanoic acid

> <FORMULA>
C19H36O3

> <MASS>
312.494

> <MONOISOTOPIC_MASS>
312.26645

> <CHARGE>
0

> <SMILES>
O=C(CCCCCCCCCCCCCCCC)CC(O)=O

> <INCHI>
InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22/h2-17H2,1H3,(H,21,22)

> <INCHIKEY>
SFGWEVNROKIRBY-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01060131

$$$$