5312836
  CDK     1106201723

 21 20  0  0  0  0  0  0  0  0999 V2000
    8.7949   -1.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5108   -0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7963    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6529   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3674   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0818   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7963   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  2 17  1  0  0  0  0 
  3 17  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  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 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 18  1  0  0  0  0 
 11 17  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 19  1  0  0  0  0 
 18 20  3  0  0  0  0 
 19 21  3  0  0  0  0 
 20 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:165800

> <NAME>
8-Hydroxy-9,11-octadecadiynoic acid

> <STAR>
2

> <IUPAC_NAME>
8-hydroxyoctadeca-9,11-diynoic acid

> <FORMULA>
C18H28O3

> <MASS>
292.419

> <MONOISOTOPIC_MASS>
292.20384

> <CHARGE>
0

> <SMILES>
OC(CCCCCCC(O)=O)C#CC#CCCCCCC

> <INCHI>
InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h17,19H,2-6,9-10,12-13,15-16H2,1H3,(H,20,21)

> <INCHIKEY>
PAJZUMALTGAWTA-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01050284

$$$$