LMFA07090142
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
   -5.2285   -0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1800   -0.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1314   -0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1800    0.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1111    1.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1111    2.2246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.2718    1.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3683   -0.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3683    0.5818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6157   -0.7095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.8518   -0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.5719   -0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4599   -0.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3064   -0.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0170    1.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8669    0.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7519    1.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6018    0.4905    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
  1 14  1  0     0  0
 14 15  2  0     0  0
 14 16  1  0     0  0
  3 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 13 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
M  END
> <LM_ID>
LMFA07090142

> <COMMON_NAME>
FAHFA 12:0/3O(FA 10:0)

> <SYSTEMATIC_NAME>
3-dodecanoyloxy-decanoic acid

> <FORMULA>
C22H42O4

> <MASS>
370.31

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acid estolides [FA0709]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XAXZRTFPESOIDQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H42O4/c1-3-5-7-9-10-11-12-14-16-18-22(25)26-20(19-21(23)24)17-15-13-8-6-4-2/h20H,3-19H2,1-2H3,(H,23,24)

> <SMILES>
C(C(O)=O)C(OC(CCCCCCCCCCC)=O)CCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FAHFA 22:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120164

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
287

> <CITATION>
32627084

$$$$