LMFA07090176
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0     0  0            999 V2000
   -0.4313   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -0.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4313    0.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3002   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1694   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9079   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7771   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6464   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5157   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1194    1.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8580    1.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7272    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5965    1.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4657    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3349    1.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2042    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0735    1.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7272    2.6720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3349    0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891    2.6720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5965    0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8579    0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3001   -1.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387   -1.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7771   -1.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  6  0  0  0
 17 21  1  6     0  0
 12 22  2  0  0  0  0
 15 23  1  6     0  0
 13 24  1  1     0  0
 11 12  1  0  0  0  0
  4 25  1  1     0  0
  6 26  1  6     0  0
  8 27  1  6     0  0
M  END
> <LM_ID>
LMFA07090176

> <COMMON_NAME>
Bourgeanic acid

> <SYSTEMATIC_NAME>
3S-hydroxy-2S,4R,6R-trimethyloctanoyloxy 3S-hydroxy-2S,4R,6R-trimethyloctanoic acid

> <FORMULA>
C22H42O5

> <MASS>
386.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acid estolides [FA0709]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZQEUMOKDJCSNHB-IHRHECOVSA-N

> <INCHI>
InChI=1S/C22H42O5/c1-9-13(3)11-15(5)19(23)17(7)22(26)27-20(18(8)21(24)25)16(6)12-14(4)10-2/h13-20,23H,9-12H2,1-8H3,(H,24,25)/t13-,14-,15-,16-,17+,18+,19+,20+/m1/s1

> <SMILES>
C([C@@H](C)[C@@H](OC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@H](C)CC)[C@H](C)C[C@H](C)CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
144204

> <ABBREVIATION>
FAHFA 22:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10905154

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
643221

> <CITATION>
-

$$$$