LMFA07010457
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   13.9371    8.9939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9371    8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7394    7.5648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7394    6.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9622    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875    6.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2124    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3372    6.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4620    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5868    6.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7117    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0621    7.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1869    8.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3117    7.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4365    8.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5613    7.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6861    8.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8110    7.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9357    8.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7256    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
 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>
LMFA07010457

> <COMMON_NAME>
WE 8:0/10:0

> <SYSTEMATIC_NAME>
octyl decanoate

> <FORMULA>
C18H36O2

> <MASS>
284.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(8:0/10:0)

> <INCHI_KEY>
HRPZGPXWSVHWPB-UHFFFAOYSA-N

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

> <SMILES>
O=C(CCCCCCCCC)OCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196217

> <ABBREVIATION>
WE 18:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
75321

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
112286

> <CITATION>
10913847

$$$$