5312394
  CDK     0910211425

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.0930    0.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234   -0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0 
  2 12  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  2  0  0  0  0 
  6  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:179919

> <NAME>
2E,6E,8Z,10E-dodecatetraenoic acid

> <STAR>
2

> <IUPAC_NAME>
(2E,6E,8Z,10E)-dodeca-2,6,8,10-tetraenoic acid

> <FORMULA>
C12H16O2

> <MASS>
192.258

> <MONOISOTOPIC_MASS>
192.11503

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C12H16O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-7,10-11H,8-9H2,1H3,(H,13,14)/b3-2+,5-4-,7-6+,11-10+

> <INCHIKEY>
ASTBWPMXGJCVAM-AKFQTPIDSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030242

$$$$