101946674
  CDK     0908232200

 27 27  0  0  0  0  0  0  0  0999 V2000
    2.8177   -2.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672   -1.1398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152    1.5651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7165   -2.1474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4310   -0.9099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477   -1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152   -0.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3027   -2.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3826   -1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1277   -2.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631   -1.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152   -0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4296    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4296    1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1441    1.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1441    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8586    2.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5731    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2876    2.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    1.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7165    1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020   -0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7165    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020   -0.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7165   -1.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  2  9  1  0  0  0  0 
  3 15  1  0  0  0  0 
  4 27  1  0  0  0  0 
  5 27  2  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 10  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 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 25  2  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:197031

> <NAME>
13-F4-NeuroP

> <STAR>
2

> <IUPAC_NAME>
(4Z,7Z,10Z,14E)-15-(2-ethyl-3,5-dihydroxycyclopentyl)-13-hydroxypentadeca-4,7,10,14-tetraenoic acid

> <FORMULA>
C22H34O5

> <MASS>
378.509

> <MONOISOTOPIC_MASS>
378.24062

> <CHARGE>
0

> <SMILES>
OC1C(C(C(O)C1)/C=C/C(O)C/C=C\C/C=C\C/C=C\CCC(O)=O)CC

> <INCHI>
InChI=1S/C22H34O5/c1-2-18-19(21(25)16-20(18)24)15-14-17(23)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-21,23-25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+

> <INCHIKEY>
BGXODHLJNXZNNX-KBUBQVDUSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA04010003

$$$$