Ketcher 07031711002D 1   1.00000     0.00000     0

 22 21  0     0  0            999 V2000
   19.3086  -10.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4427  -10.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1747   -8.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5766  -10.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3087   -9.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7106  -10.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8446  -10.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9786  -10.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1124  -10.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2464  -10.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3804  -10.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3805   -9.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4427   -8.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2465   -8.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5766   -9.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125   -9.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8446   -9.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7106   -8.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9785   -8.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7106   -7.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9785   -7.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1746  -10.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
  9  8  1  0     0  0
 10  9  1  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
 13  5  1  0     0  0
 14 12  1  0     0  0
 15 13  1  0     0  0
 16 14  1  0     0  0
 18 15  1  0     0  0
 18 17  1  0     0  0
 19 16  1  0     0  0
 19 17  1  0     0  0
 20 18  2  0     0  0
 21 19  2  0     0  0
  1 22  1  0     0  0
M  END
> <ID>
CHEBI:134475

> <NAME>
5,7-icosanedione

> <DEFINITION>
A β-diketone that is icosane in which the methylene hydrogens at positions 5 and 7 have been replaced by oxo groups.

> <STAR>
3

> <SYNONYM>
eicosane-5,7-dione; 5,7-eicosanedione

> <IUPAC_NAME>
icosane-5,7-dione

> <FORMULA>
C20H38O2

> <MASS>
310.515

> <MONOISOTOPIC_MASS>
310.28718

> <CHARGE>
0

> <SMILES>
C(CCCCCCCCCCCC(CC(CCCC)=O)=O)C

> <INCHI>
InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-6-4-2/h3-18H2,1-2H3

> <INCHIKEY>
CJHBQGYRPYRMEB-UHFFFAOYSA-N

$$$$