REGNO:121170
METABOLOMICS WORKBENCH STRUCTURE

 24 23  0     0  0            999 V2000
   -5.2241   -0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1747   -0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1253   -0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1747    0.6114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1050    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1050    2.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9644    0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8238    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6831    0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5425    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4019    0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2613    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1208    0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9802    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8396    0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3646   -0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3646    0.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6126   -0.7089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9848   -0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8442   -0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7035   -0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5629   -0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7239    1.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5730    0.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  2  4  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
  1 16  1  0     0  0
 16 17  2  0     0  0
 16 18  1  0     0  0
  3 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 15 23  1  0     0  0
 23 24  1  0     0  0
M  END

> <LM_ID>
LMISFA07090138

> <COMMON_NAME>
FAHFA 12:0/3O(FA 8:0)

> <SYSTEMATIC_NAME>
3-dodecanoyloxy-octanoic acid

> <FORMULA>
C20H38O4

> <MASS>
342.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acid estolides [FA0709]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>


> <HMDB_ID>


> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active (generated by computational methods)

> <REFS>
-

$$$$