LMFA07010854
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
   -1.0668    0.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279    0.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3279    0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101    1.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279    1.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279   -0.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668   -1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668   -1.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0668    0.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0668   -0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010854

> <COMMON_NAME>
Ethyl 2-ethylbutanoate

> <SYSTEMATIC_NAME>
ethyl 2-ethylbutanoate

> <FORMULA>
C8H16O2

> <MASS>
144.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MJGSLNIPTRPYJV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040298

> <CHEBI_ID>
179937

> <ABBREVIATION>
SFE 8:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
76326

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$