LMFA07010439
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0     0  0            999 V2000
   11.3075    9.0060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3075    8.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1131    7.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1131    6.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3327    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4546    6.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5758    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6970    6.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8182    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9394    6.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4289    7.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5501    8.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6713    7.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7925    8.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9137    7.7325    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
  4  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 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>
LMFA07010439

> <COMMON_NAME>
WE 8:0/6:0

> <SYSTEMATIC_NAME>
octyl hexanoate

> <FORMULA>
C14H28O2

> <MASS>
228.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(8:0/6:0)

> <INCHI_KEY>
CMNMHJVRZHGAAK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C14H28O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h3-13H2,1-2H3

> <SMILES>
O=C(CCCCC)OCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179787

> <ABBREVIATION>
WE 14:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21006

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
178035

> <CITATION>
24309967

$$$$