LMFA02000112
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   13.7946    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5091    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2236    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9381    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6526    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3671    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0816    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3671    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9696    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2551    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5407    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    6.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    6.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  6  8  2  0  0  0  0
  1  9  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000112

> <COMMON_NAME>
13S-HpOTrE(gamma)

> <SYSTEMATIC_NAME>
13S-hydroperoxy-6Z,9Z,11E-octadecatrienoic acid

> <FORMULA>
C18H30O4

> <MASS>
310.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
165788

> <CAYMAN_ID>
45210

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282870

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/index.php/databases/lmsd/LMFA02000112

$$$$