LMFA07010589
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
   10.4146    9.5211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4146    8.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2128    8.0992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2128    6.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5439    8.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6730    8.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8022    8.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9314    8.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3421    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4713    6.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6005    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7297    6.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8588    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  1  0  0  0  0
  6  7  2  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>
LMFA07010589

> <COMMON_NAME>
WE 6:1(2E)/6:1(3Z)

> <SYSTEMATIC_NAME>
(E)-2-Hexenyl (Z)-3-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(3Z))

> <INCHI_KEY>
JNQWJWVBGRTRTA-MKKAVFGOSA-N

> <INCHI>
InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h6-9H,3-5,10-11H2,1-2H3/b8-6-,9-7+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195911

> <ABBREVIATION>
WE 12:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936003

> <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>
41702

> <CITATION>
24248775

$$$$