70698744
  CDK     1106201723

 24 23  0  0  0  0  0  0  0  0999 V2000
    9.2377    3.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    0.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -4.0755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -4.0755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5232    3.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -2.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8087    3.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5232    2.5245    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
    7.0943    0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8087    4.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8087    2.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8087    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -3.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  2  9  1  0  0  0  0 
  3 23  1  0  0  0  0 
  4 23  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6 12  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 13  1  0  0  0  0 
  8 23  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 17  1  0  0  0  0 
 10 15  1  0  0  0  0 
 11 18  1  0  0  0  0 
 12 16  2  0  0  0  0 
 13 19  2  0  0  0  0 
 14 16  1  0  0  0  0 
 14 21  1  0  0  0  0 
 15 20  2  0  0  0  0 
 17 22  2  0  0  0  0 
 19 20  1  0  0  0  0 
 21 24  2  0  0  0  0 
 22 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:165263

> <NAME>
12,18-Di-HEPE

> <STAR>
2

> <IUPAC_NAME>
(5Z,8Z,10E,14Z,16E)-12,18-dihydroxyicosa-5,8,10,14,16-pentaenoic acid

> <FORMULA>
C20H30O4

> <MASS>
334.456

> <MONOISOTOPIC_MASS>
334.21441

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C20H30O4/c1-2-18(21)14-11-9-12-16-19(22)15-10-7-5-3-4-6-8-13-17-20(23)24/h4-7,9-12,14-15,18-19,21-22H,2-3,8,13,16-17H2,1H3,(H,23,24)/b6-4-,7-5-,12-9-,14-11+,15-10+

> <INCHIKEY>
HIFJAIFWUBZVMA-CJNYYIDWSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03070051

$$$$