LMFA05000717
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
    9.0939    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2279   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3618    0.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4956   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6296    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7636   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0313   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2991    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1653   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0313    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8974   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7636    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6296   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4956    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3618   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2279    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0939   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2279   -1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6296    1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974    1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
  2 23  2  0     0  0
  5 24  1  6     0  0
  7 25  2  0     0  0
M  END
> <LM_ID>
LMFA05000717

> <COMMON_NAME>
Persenone C

> <SYSTEMATIC_NAME>
2S-hydroxy-4-oxononadeca-5E,16E-dien-1-yl acetate

> <FORMULA>
C21H36O4

> <MASS>
352.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
(S,5E,16E)-2-hydroxy-4-oxononadeca-5,16-dien-1-yl acetate

> <INCHI_KEY>
MYFQKXPELFRJRW-ABOKRIGSSA-N

> <INCHI>
InChI=1S/C21H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)17-21(24)18-25-19(2)22/h4-5,15-16,21,24H,3,6-14,17-18H2,1-2H3/b5-4+,16-15+/t21-/m0/s1

> <SMILES>
CC(=O)OC[C@@H](O)CC(=O)/C=C/CCCCCCCCC/C=C/CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FOH 21:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120964

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3435

> <CITATION>
-

$$$$