LMFA07020005
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
    5.7773    9.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6433    8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5093    9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3753    8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2414    9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1074    8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9734    9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8395    8.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9734   10.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6433    7.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7773   10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6433   10.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5093   10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3753   10.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2414   10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1074   10.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8395    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9734    7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1074    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2414    7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3753    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5093    7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9734    6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1074    5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6433   11.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5093   12.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  7  9  2  0     0  0
  2 10  2  0     0  0
  1 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
  8 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 18 23  1  6     0  0
 23 24  1  0     0  0
 12 25  1  6     0  0
 25 26  1  0     0  0
M  END
> <LM_ID>
LMFA07020005

> <COMMON_NAME>
hexanedioic acid,1,6-bis[(2R)-ethylhexyl] ester

> <SYSTEMATIC_NAME>
bis (2R)-ethylhexyl-hexanoate

> <FORMULA>
C22H42O4

> <MASS>
370.31

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax diesters [FA0702]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SAOKZLXYCUGLFA-WOJBJXKFSA-N

> <INCHI>
InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3/t19-,20-/m1/s1

> <SMILES>
O(C[C@H](CC)CCCC)C(=O)CCCCC(=O)OC[C@H](CC)CCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
WD 22:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
40468166

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
58227

> <CITATION>
32530310

$$$$