LMFA07090106
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
    6.2122   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3462   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4801   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7481   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8821   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0160   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7160   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5820   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4481   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0782   -2.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2122   -1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0782   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9443   -4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2122   -4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3462   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8103   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6763   -4.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8103   -2.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9443   -5.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3141   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2122   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5423   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1801   -2.3250    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
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  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
  1 12  1  0     0  0
  1 13  2  0     0  0
 14 12  1  1     0  0
 14 15  1  0     0  0
 14 16  1  0     0  0
 16 17  1  0     0  0
 15 18  1  0     0  0
 18 19  1  0     0  0
 18 20  2  0     0  0
 15 21  1  6     0  0
 11 22  1  0     0  0
 16 23  1  0     0  0
 19 24  1  0     0  0
 22 25  1  0     0  0
M  END
> <LM_ID>
LMFA07090106

> <COMMON_NAME>
Siegesbeckin C

> <SYSTEMATIC_NAME>
3R-tridecanoyloxy-2R-hydroxy-4-methylpentanoic acid methyl ester

> <FORMULA>
C20H38O5

> <MASS>
358.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acid estolides [FA0709]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GGDBPLUALAQSBY-RTBURBONSA-N

> <INCHI>
InChI=1S/C20H38O5/c1-5-6-7-8-9-10-11-12-13-14-15-17(21)25-19(16(2)3)18(22)20(23)24-4/h16,18-19,22H,5-15H2,1-4H3/t18-,19-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FAHFA 20:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121104

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
371450

> <CITATION>
32407877

$$$$