LMFA07010466
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   15.7009    8.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7009    8.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5043    7.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5043    6.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7260    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8502    6.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9738    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0974    6.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2210    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8247    7.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9482    8.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0718    7.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1955    8.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3190    7.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4426    8.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5663    7.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6898    8.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8134    7.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9369    8.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7280    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
M  END
> <LM_ID>
LMFA07010466

> <COMMON_NAME>
WE 6:0/12:0

> <SYSTEMATIC_NAME>
hexyl dodecanoate

> <FORMULA>
C18H36O2

> <MASS>
284.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(6:0/12:0)

> <INCHI_KEY>
CMBYOWLFQAFZCP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H36O2/c1-3-5-7-9-10-11-12-13-14-16-18(19)20-17-15-8-6-4-2/h3-17H2,1-2H3

> <SMILES>
O=C(CCCCCCCCCCC)OCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0061946

> <CHEBI_ID>
88837

> <ABBREVIATION>
WE 18:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
94454

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
478162

> <CITATION>
16718558

$$$$