LMFA07090139
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0     0  0            999 V2000
   -5.2297   -0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1813   -0.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1329   -0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1813    0.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1126    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1126    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9729    0.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8331    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6933    0.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5536    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4139    0.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2742    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1346    0.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3692   -0.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3692    0.5819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6164   -0.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9933   -0.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8536   -0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7138   -0.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5741   -0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4623   -0.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3089   -0.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1970   -0.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0439   -0.8526    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
 22 23  1  0     0  0
 23 24  1  0     0  0
M  END
> <LM_ID>
LMFA07090139

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

> <SYSTEMATIC_NAME>
3-octanoyloxy-dodecanoic acid

> <FORMULA>
C20H38O4

> <MASS>
342.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acid estolides [FA0709]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
POEICEQDGWNKHM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H38O4/c1-3-5-7-9-10-12-13-15-18(17-19(21)22)24-20(23)16-14-11-8-6-4-2/h18H,3-17H2,1-2H3,(H,21,22)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FAHFA 20:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120179

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
287

> <CITATION>
32627084

$$$$