Marvin  02261315452D          

 23 22  0  0  0  0            999 V2000
   15.0475   -2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3329   -3.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6186   -2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9039   -3.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1896   -2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3645   -2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6501   -3.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9355   -2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1105   -2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5272   -3.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1105   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9355   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6501   -3.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3645   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1896   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0475   -2.1080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7647   -3.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8945   -3.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5993   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -3.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0090   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7139   -3.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7881   -4.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 11  1  0  0  0  0
  1 16  2  0  0  0  0
  1 17  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
> <ID>
CHEBI:72606

> <NAME>
11-HETE

> <DEFINITION>
A HETE that is (5Z,8Z,12E,14Z)-icosa-5,8,12,14-tetraenoic acid substituted at position 11 by a hydroxy group.

> <STAR>
3

> <SYNONYM>
11-hydroxy-5Z,8Z,11E,14Z-eicosatetraenoic acid

> <IUPAC_NAME>
(5Z,8Z,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoic acid

> <FORMULA>
C20H32O3

> <MASS>
320.46630

> <MONOISOTOPIC_MASS>
320.23514

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+

> <INCHIKEY>
GCZRCCHPLVMMJE-RLZWZWKOSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03060085

$$$$