Marvin  05181210292D          

 22 21  0  0  0  0            999 V2000
   19.4510  -42.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4510  -43.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7364  -42.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7364  -44.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0220  -42.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0220  -43.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1654  -44.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8799  -43.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5943  -44.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3088  -43.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0233  -44.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7378  -43.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4522  -44.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1667  -43.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8812  -44.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1654  -42.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1654  -41.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8798  -41.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5943  -41.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3087  -41.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0233  -41.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3087  -40.4299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  1 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
> <ID>
CHEBI:64014

> <NAME>
(5Z,8Z,10E,12E)-icosatetraenoic acid

> <DEFINITION>
An icosatetraenoic acid in which the four double bonds are located at positions 5, 8, 10 and 12 (the 5Z,8Z,10E,12E-isomer).

> <STAR>
3

> <SYNONYM>
(5Z,8Z,10E,12E)-icosatetraenoic acid; (5Z,8Z,10E,12E)-eicosatetraenoic acid; (5Z,8Z,10E,12E)-eicosa-5,8,10,12-tetraenoic acid

> <IUPAC_NAME>
(5Z,8Z,10E,12E)-icosa-5,8,10,12-tetraenoic acid

> <FORMULA>
C20H32O2

> <MASS>
304.46690

> <MONOISOTOPIC_MASS>
304.24023

> <CHARGE>
0

> <SMILES>
CCCCCCC\C=C\C=C\C=C/C\C=C/CCCC(O)=O

> <INCHI>
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h8-13,15-16H,2-7,14,17-19H2,1H3,(H,21,22)/b9-8+,11-10+,13-12-,16-15-

> <INCHIKEY>
JUGGNIDAHVQZBH-XLGBQZCCSA-N

$$$$