LMFA02000099
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   17.1762    5.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8869    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1762    6.4786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4603    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7440    5.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0277    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3114    5.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5952    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8789    5.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1627    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4464    5.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7301    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0139    5.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2976    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488    5.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4326    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7163    5.6578    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
    8.5813    5.6578    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5813    6.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2962    6.8960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 20  1  0  0  0  0
 20 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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000099

> <COMMON_NAME>
E,E-13-HpODE

> <SYSTEMATIC_NAME>
9-hydroperoxy-9E,11E-octadecadienoic acid

> <FORMULA>
C18H32O4

> <MASS>
312.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
165781

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
SLM:000501147

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5353275

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
Free Radical Lipid Peroxidation: Mechanisms and Analysis
Huiyong Yin, Libin Xu and Ned A. Porter
Chem. Rev. 2011, 111, 5944-5972

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA02000099

$$$$