56936267
  CDK     1209211503

 24 24  0  0  0  0  0  0  0  0999 V2000
    7.0640   -0.9760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4765   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1909    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9054   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3344   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0489    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7634   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4779    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1924   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9068    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6213   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3358    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0503   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7648    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 15  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 21  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:187961

> <NAME>
7-methyl-cis-8,9-Epoxy-tricosane

> <STAR>
2

> <IUPAC_NAME>
2-octan-2-yl-3-tridecyloxirane

> <FORMULA>
C23H46O

> <MASS>
338.620

> <MONOISOTOPIC_MASS>
338.35487

> <CHARGE>
0

> <SMILES>
O1C(C1CCCCCCCCCCCCC)C(CCCCCC)C

> <INCHI>
InChI=1S/C23H46O/c1-4-6-8-10-11-12-13-14-15-16-18-20-22-23(24-22)21(3)19-17-9-7-5-2/h21-23H,4-20H2,1-3H3

> <INCHIKEY>
SMZLXBDFGGBYQF-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA12000326

$$$$