LMFA07010428
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   18.2089    8.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2089    8.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0060    7.5551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0060    6.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2339    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3649    6.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4953    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6258    6.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7562    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8866    6.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0170    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1475    6.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2779    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4083    6.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5389    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6693    6.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7997    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    6.5973    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
   17.3394    7.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4700    8.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6004    7.7149    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
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010428

> <COMMON_NAME>
SFE 16:0/4:0

> <SYSTEMATIC_NAME>
hexadecyl butyrate

> <FORMULA>
C20H40O2

> <MASS>
312.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(16:0/4:0)

> <INCHI_KEY>
NJVKAQGGBANCKG-UHFFFAOYSA-N

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

> <SMILES>
O=C(CCC)OCCCCCCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179719

> <ABBREVIATION>
SFE 20:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
522033

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
465489

> <CITATION>
-

$$$$