LMFA07010605
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0     0  0            999 V2000
   11.2931    9.4825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2931    8.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0816    8.0780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0816    6.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4331    8.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5729    8.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7128    8.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8527    8.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9924    8.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2216    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3614    6.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5012    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6411    6.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7809    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9208    6.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.3607    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  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
  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010605

> <COMMON_NAME>
WE 8:1(2E)/6:0

> <SYSTEMATIC_NAME>
(E)-2-Octenyl hexanoate

> <FORMULA>
C14H26O2

> <MASS>
226.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(8:1(2E)/6:0); 2E-octenyl hexanoate

> <INCHI_KEY>
KKXAKIPTZJTCKT-PKNBQFBNSA-N

> <INCHI>
InChI=1S/C14H26O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h9,11H,3-8,10,12-13H2,1-2H3/b11-9+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179331

> <ABBREVIATION>
WE 14:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15546067

> <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>
881767

> <CITATION>
11789951

$$$$