137323807
  CDK     0425242201

 25 25  0  0  0  0  0  0  0  0999 V2000
    7.0640   -0.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4765   -0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9370    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1924    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4779    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9068    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7634    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1909    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6213    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0489    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3344    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3358    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0503    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9054    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7648    1.0313    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
   17.4792    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2 22  1  0  0  0  0 
  2 24  1  0  0  0  0 
  3 22  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  6  0  0  0 
  5 12  1  1  0  0  0 
  6  7  1  0  0  0  0 
  7 13  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 14  1  0  0  0  0 
 11 15  1  0  0  0  0 
 12 20  3  0  0  0  0 
 13 22  1  0  0  0  0 
 14 17  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
 21 23  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:230769

> <NAME>
ethyl 5r,6r-epoxy-7-eicosynoate

> <STAR>
2

> <IUPAC_NAME>
ethyl 4-[(2R,3R)-3-tetradec-1-ynyloxiran-2-yl]butanoate

> <FORMULA>
C22H38O3

> <MASS>
350.543

> <MONOISOTOPIC_MASS>
350.28210

> <CHARGE>
0

> <SMILES>
O1[C@@H]([C@H]1C#CCCCCCCCCCCCC)CCCC(OCC)=O

> <INCHI>
InChI=1S/C22H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-21(25-20)18-16-19-22(23)24-4-2/h20-21H,3-14,16,18-19H2,1-2H3/t20-,21-/m1/s1

> <INCHIKEY>
LZAQRTYTZUGVMN-NHCUHLMSSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01070042

$$$$