LMFA07011186
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -0.4342   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.7520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4342    0.7520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090   -0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0594   -0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8097   -0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6850   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5602   -0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4354   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3106   -0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1663   -0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0323   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1663   -1.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1748   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0426   -0.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9069   -0.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7746   -0.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6389   -0.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5067   -0.7337    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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 14 16  1  0     0  0
 12 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
M  END
> <LM_ID>
LMFA07011186

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
isobutyl hexadecanoate

> <FORMULA>
C20H40O2

> <MASS>
312.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OJIBJRXMHVZPLV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h19H,4-18H2,1-3H3

> <SMILES>
C(CCCCCCCCCCCCCCC)(=O)OCC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 20:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
66967

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
887844

> <CITATION>
24894159

$$$$