53477455
  CDK     1106201723

 22 21  0  0  0  0  0  0  0  0999 V2000
    5.9370    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6529    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383    3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1 13  1  0  0  0  0 
  3 22  1  0  0  0  0 
  4 22  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6 12  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 15  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 16  1  0  0  0  0 
 13 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 17 18  2  0  0  0  0 
 19 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:165785

> <NAME>
8-HpOME

> <STAR>
2

> <IUPAC_NAME>
(Z)-8-hydroperoxyoctadec-9-enoic acid

> <FORMULA>
C18H34O4

> <MASS>
314.466

> <MONOISOTOPIC_MASS>
314.24571

> <CHARGE>
0

> <SMILES>
O(O)C(CCCCCCC(O)=O)/C=C\CCCCCCCC

> <INCHI>
InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11-

> <INCHIKEY>
JOACVYKMIMFTFT-KAMYIIQDSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA02000118

$$$$