16061069
  CDK     1106201723

 22 21  0  0  0  0  0  0  0  0999 V2000
    6.3799    0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    1.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379   -1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234   -2.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089   -3.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3 19  1  0  0  0  0 
  4 19  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 19  1  0  0  0  0 
 12 16  2  0  0  0  0 
 13 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 17  1  0  0  0  0 
 15 20  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 22  1  0  0  0  0 
 18 21  1  0  0  0  0 
 20 21  2  0  0  0  0 
M  END
> <ID>
CHEBI:165756

> <NAME>
gamma-6,7-DiHODE

> <STAR>
2

> <IUPAC_NAME>
(9Z,12Z)-6,7-dihydroxyoctadeca-9,12-dienoic acid

> <FORMULA>
C18H32O4

> <MASS>
312.450

> <MONOISOTOPIC_MASS>
312.23006

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-13-16(19)17(20)14-11-12-15-18(21)22/h6-7,9-10,16-17,19-20H,2-5,8,11-15H2,1H3,(H,21,22)/b7-6-,10-9-

> <INCHIKEY>
WWLGZBGFLYEQFD-HZJYTTRNSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA02000048

$$$$