LMFA07010588
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
   10.3684    9.4877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3684    8.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1581    8.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1581    6.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5069    8.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    8.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7838    8.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9222    8.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2966    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4351    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5735    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7120    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8504    6.3606    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
  2  5  1  0  0  0  0
  5  6  2  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
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010588

> <COMMON_NAME>
WE 6:1(2E)/6:1(2E)

> <SYSTEMATIC_NAME>
(E)-2-Hexenyl (E)-2-hexenoate

> <FORMULA>
C12H20O2

> <MASS>
196.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(6:1(2E)/6:1(2E))

> <INCHI_KEY>
QZZVRWSUQQJJOS-FIFLTTCUSA-N

> <INCHI>
InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7-10H,3-6,11H2,1-2H3/b9-7+,10-8+

> <SMILES>
O=C(/C=C/CCC)OC/C=C/CCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195910

> <ABBREVIATION>
WE 12:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5369062

> <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>
2868028

> <CITATION>
24414831

$$$$