56935843
  CDK     1106201723

 22 21  0  0  0  0  0  0  0  0999 V2000
    8.5234    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    1.0313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9509    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    1.8563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3814   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3814   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0958   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0 
 14  2  1  6  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  7  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 14  1  0  0  0  0 
 11 15  1  0  0  0  0 
 12 17  1  0  0  0  0 
 13 16  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:165760

> <NAME>
8R,11S-DiHOME

> <STAR>
2

> <IUPAC_NAME>
(Z,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid

> <FORMULA>
C18H34O4

> <MASS>
314.466

> <MONOISOTOPIC_MASS>
314.24571

> <CHARGE>
0

> <SMILES>
O[C@@H](CCCCCCC)/C=C\[C@H](O)CCCCCCC(O)=O

> <INCHI>
InChI=1S/C18H34O4/c1-2-3-4-5-8-11-16(19)14-15-17(20)12-9-6-7-10-13-18(21)22/h14-17,19-20H,2-13H2,1H3,(H,21,22)/b15-14-/t16-,17+/m0/s1

> <INCHIKEY>
GSDSZZZUMHELIE-RMJCYXJZSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA02000063

$$$$