LMFA07010434
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0     0  0            999 V2000
   10.5520    9.0714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5520    8.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3755    7.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3755    6.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5777    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6538    7.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7555    8.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8572    7.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9589    8.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7697    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  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
M  END
> <LM_ID>
LMFA07010434

> <COMMON_NAME>
SFE 2:0/6:0

> <SYSTEMATIC_NAME>
ethyl hexanoate

> <FORMULA>
C8H16O2

> <MASS>
144.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(2:0/6:0)

> <INCHI_KEY>
SHZIWNPUGXLXDT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3

> <SMILES>
O=C(CCCCC)OCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040209

> <CHEBI_ID>
86055

> <ABBREVIATION>
SFE 8:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
31265

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7244

> <CITATION>
-

$$$$