5282960
  CDK     1106201723

 22 21  0  0  0  0  0  0  0  0999 V2000
    8.5234   -0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3814   -0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0958    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8103    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3814    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5248    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2393    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9538    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  2 15  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  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 17  1  0  0  0  0 
 12 19  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 18  1  0  0  0  0 
 16 20  1  0  0  0  0 
 17 18  2  0  0  0  0 
 19 22  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:165761

> <NAME>
9,13-DiHOME(11)

> <STAR>
2

> <IUPAC_NAME>
(E)-9,13-dihydroxyoctadec-11-enoic acid

> <FORMULA>
C18H34O4

> <MASS>
314.466

> <MONOISOTOPIC_MASS>
314.24571

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H34O4/c1-2-3-7-11-16(19)13-10-14-17(20)12-8-5-4-6-9-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10+

> <INCHIKEY>
GPZTWISIZJCSHZ-JLHYYAGUSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA02000163

$$$$