LMFA07010416
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   19.9259    8.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9259    8.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7218    7.5528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7218    6.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9508    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0833    6.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2150    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3469    6.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4787    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6106    6.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7423    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8742    6.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0060    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1379    6.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4015    6.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5333    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6652    6.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7969    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9288    6.5964    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
   19.0579    7.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1897    8.2229    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
 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
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010416

> <COMMON_NAME>
SFE 18:0/3:0

> <SYSTEMATIC_NAME>
octadecyl propionate

> <FORMULA>
C21H42O2

> <MASS>
326.32

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(18:0/3:0)

> <INCHI_KEY>
YTXCAJNHPVBVDJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h3-20H2,1-2H3

> <SMILES>
O=C(CC)OCCCCCCCCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 21:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
527531

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
72785

> <CITATION>
-

$$$$