22715389
  CDK     0910211425

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.6723   -2.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324   -3.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0848    3.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2598    3.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792    3.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4654    3.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5842    2.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7605    2.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1472    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1974    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5268    1.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8179    1.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6946    0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6384   -0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7063   -0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3621   -1.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9826   -1.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8863   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2463   -2.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983   -2.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4896   -2.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8550   -2.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
  2 24  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  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 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:180030

> <NAME>
22-Docosanolide

> <STAR>
2

> <IUPAC_NAME>
oxacyclotricosan-2-one

> <FORMULA>
C22H42O2

> <MASS>
338.576

> <MONOISOTOPIC_MASS>
338.31848

> <CHARGE>
0

> <SMILES>
O1CCCCCCCCCCCCCCCCCCCCCC1=O

> <INCHI>
InChI=1S/C22H42O2/c23-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-24-22/h1-21H2

> <INCHIKEY>
JVNNUYHKIWNNOR-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07040059

$$$$