5282774
  CDK     1209211503

 28 27  0  0  0  0  0  0  0  0999 V2000
    2.0930    0.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9538    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2393   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6682   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5248    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3827    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8103   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0973   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0958    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8117    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3814   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5262   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2407    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9552   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6697    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0 
  2 28  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 19  1  0  0  0  0 
 16 23  1  0  0  0  0 
 17 18  1  0  0  0  0 
 17 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 19 26  1  0  0  0  0 
 20 22  1  0  0  0  0 
 21 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
 23 25  2  0  0  0  0 
 24 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  END
> <ID>
CHEBI:188066

> <NAME>
9-hexacosenoic acid

> <STAR>
2

> <IUPAC_NAME>
(E)-hexacos-9-enoic acid

> <FORMULA>
C26H50O2

> <MASS>
394.684

> <MONOISOTOPIC_MASS>
394.38108

> <CHARGE>
0

> <SMILES>
OC(=O)CCCCCCC\C=C\CCCCCCCCCCCCCCCC

> <INCHI>
InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h17-18H,2-16,19-25H2,1H3,(H,27,28)/b18-17+

> <INCHIKEY>
WCVLVNLRVRJFLN-ISLYRVAYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030094

$$$$