LMFA07010594
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
   10.4188    9.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4188    8.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2178    8.1009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2178    6.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5473    8.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6755    8.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8039    8.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9322    8.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    8.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3463    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4746    6.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6029    6.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7312    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8596    6.8986    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  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010594

> <COMMON_NAME>
WE 6:1(3Z)/6:0

> <SYSTEMATIC_NAME>
(Z)-3-Hexenyl hexanoate

> <FORMULA>
C12H22O2

> <MASS>
198.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(6:1(3Z)/6:0)

> <INCHI_KEY>
RGACQXBDYBCJCY-ALCCZGGFSA-N

> <INCHI>
InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033378

> <CHEBI_ID>
171813

> <ABBREVIATION>
WE 12:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5352543

> <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>
178616

> <CITATION>
24242803

$$$$