LMFA07010469
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   17.4360    8.9935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4360    8.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2381    7.5646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2381    6.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4610    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5866    6.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7115    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8366    6.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9616    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5611    7.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6861    8.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8110    7.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9360    8.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0610    7.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1859    8.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3108    7.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4358    8.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5609    7.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6858    8.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8108    7.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9358    8.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.7255    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
  2 10  1  0  0  0  0
 10 11  1  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010469

> <COMMON_NAME>
WE 6:0/14:0

> <SYSTEMATIC_NAME>
hexyl tetradecanoate

> <FORMULA>
C20H40O2

> <MASS>
312.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(6:0/14:0)

> <INCHI_KEY>
JIFCVUWJQMDNTN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H40O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20(21)22-19-17-8-6-4-2/h3-19H2,1-2H3

> <SMILES>
O=C(CCCCCCCCCCCCC)OCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179715

> <ABBREVIATION>
WE 20:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
170623

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
42296

> <CITATION>
-

$$$$