LMFA07040220
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0  0  0  0  0  0  0  0999 V2000
   15.1717   -5.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3035   -5.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4352   -5.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5669   -5.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6987   -5.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8304   -5.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9621   -5.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0939   -5.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2256   -5.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3573   -5.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4891   -5.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6208   -5.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7525   -5.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8843   -5.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0160   -5.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1477   -5.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795   -5.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4112   -5.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7653   -8.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8260   -7.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7004   -6.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5620   -7.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4368   -6.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9621   -6.6062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2984   -7.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1732   -6.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0369   -5.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9038   -5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2392   -6.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 19  2  0  0  0  0
  7 24  1  0     0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 20  1  0  0  0  0
 27 28  1  0     0  0
  1 27  1  0     0  0
 26 29  1  0     0  0
 28 29  1  0     0  0
M  END
> <LM_ID>
LMFA07040220

> <COMMON_NAME>
Heptacosan-16-olide

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H52O2

> <MASS>
408.40

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KLSSIVWXUPZZTA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C27H52O2/c1-2-3-4-5-6-11-14-17-20-23-26-24-21-18-15-12-9-7-8-10-13-16-19-22-25-27(28)29-26/h26H,2-25H2,1H3

> <SMILES>
C1CCCCCCCCC(OC(CCCCCCCCCCC)CCCCC1)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 27:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328602

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
101930

> <CITATION>
41875930

$$$$