52929816
  CDK     1203211124

 29 28  0  0  0  0  0  0  0  0999 V2000
   13.7963   -4.4592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5108   -3.2217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    3.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    3.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    2.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    3.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    3.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    2.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    2.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094   -1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6529   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3674   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3674   -1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0818   -2.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0818   -3.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7963   -3.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0 
  2 29  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  8  1  0  0  0  0 
  3 15  1  0  0  0  0 
  4 10  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5 12  1  0  0  0  0 
  5 16  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 14  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 13  1  0  0  0  0 
 11 18  1  0  0  0  0 
 11 19  1  0  0  0  0 
 12 14  2  0  0  0  0 
 13 17  1  0  0  0  0 
 17 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 26  2  0  0  0  0 
 25 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
M  END
> <ID>
CHEBI:187367

> <NAME>
24:3(5Z,9Z,17Z)(15Me,19Me,23Me)

> <STAR>
2

> <IUPAC_NAME>
(5Z,9Z,17Z)-15,19,23-trimethyltetracosa-5,9,17-trienoic acid

> <FORMULA>
C27H48O2

> <MASS>
404.679

> <MONOISOTOPIC_MASS>
404.36543

> <CHARGE>
0

> <SMILES>
OC(=O)CCC/C=C\CC/C=C\CCCCC(C/C=C\C(CCCC(C)C)C)C

> <INCHI>
InChI=1S/C27H48O2/c1-24(2)18-16-20-26(4)22-17-21-25(3)19-14-12-10-8-6-5-7-9-11-13-15-23-27(28)29/h6,8-9,11,17,22,24-26H,5,7,10,12-16,18-21,23H2,1-4H3,(H,28,29)/b8-6-,11-9-,22-17-

> <INCHIKEY>
PRGDQWKNVBYEKH-IZJJPQSLSA-N

$$$$