LMFA07010882
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
   -0.0007   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7139   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4285   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1431   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8565   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4284   -0.6185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    0.6185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8565   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010882

> <COMMON_NAME>
Ethyl sorbate

> <SYSTEMATIC_NAME>
ethyl (2E,4E)-hexa-2,4-dienoate

> <FORMULA>
C8H12O2

> <MASS>
140.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OZZYKXXGCOLLLO-TWTPFVCWSA-N

> <INCHI>
InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+

> <SMILES>
C(=C/C=C/C)\C(=O)OCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040463

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 8:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
1550470

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$